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2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Struktur
851784-82-2
CAS-Nr.
851784-82-2
Englisch Name:
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Synonyma:
5,7-Dichloro-3,4-dihydro-2,6(1H)-isoquinolinedicarboxylic acid 2-(1,1-dimethylethyl) ester;LifitegrastImpurity40;Lifitegrast intermediate;-(Tert-Butoxycarbonyl-5,7-Dichloro-1,2,3,4-T..;2-(Tert-Butoxycarbonyl)-5,7-Dichloro-1,2,3,4-Tetrahydroisoqu...;2-Boc-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid;N-Boc- 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;2,6(1H)-Isoquinolinedicarboxylic acid, 5,7-dichloro-3,4-dihydro-, 2-(1,1-dimethylethyl) ester;5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CBNumber:
CB42995940
Summenformel:
C15H17Cl2NO4
Molgewicht:
346.21
MOL-Datei:
851784-82-2.mol

2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Eigenschaften

Siedepunkt:
468.5±45.0 °C(Predicted)
Dichte
1.379±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
L?slichkeit
Chloroform (Sparingly, Sonicated), Methanol (Slightly)
pka
1.87±0.20(Predicted)
Aggregatzustand
Solid
Farbe
White to Off-White
InChI
InChI=1S/C15H17Cl2NO4/c1-15(2,3)22-14(21)18-5-4-9-8(7-18)6-10(16)11(12(9)17)13(19)20/h6H,4-5,7H2,1-3H3,(H,19,20)
InChIKey
JXBQRXIJBFUZMR-UHFFFAOYSA-N
SMILES
C1C2=C(C(Cl)=C(C(O)=O)C(Cl)=C2)CCN1C(OC(C)(C)C)=O
Sicherheit
  • Risiko- und Sicherheitserkl?rung
  • Gefahreninformationscode (GHS)
HS Code  2933499090
Bildanzeige (GHS) GHS hazard pictograms
Alarmwort Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H302 Gesundheitssch?dlich bei Verschlucken. Akute Toxizit?t oral Kategorie 4 Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P264, P270, P301+P312, P330, P501
H315 Verursacht Hautreizungen. Hautreizung Kategorie 2 Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P264, P280, P302+P352, P321,P332+P313, P362
H319 Verursacht schwere Augenreizung. Schwere Augenreizung Kategorie 2 Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P264, P280, P305+P351+P338,P337+P313P
H335 Kann die Atemwege reizen. Spezifische Zielorgan-Toxizit?t (einmalige Exposition) Kategorie 3 (Atemwegsreizung) Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" />
Sicherheit
P261 Einatmen von Staub vermeiden.
P305+P351+P338 BEI KONTAKT MIT DEN AUGEN: Einige Minuten lang behutsam mit Wasser spülen. Eventuell vorhandene Kontaktlinsen nach M?glichkeit entfernen. Weiter spülen.

2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

Beschreibung

2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid is a carboxylic acid derivative of tetrahydroisoquinoline with a Boc group and two chlorine atoms attached to the tetrahydroisoquinoline ring. It may exhibit various biological activities, such as anticancer, anti-inflammatory, and anticonvulsant properties, depending on the nature and position of the substituents.

Synthese

Synthesis_851784-82-2
Boc-protection was used for the ring nitrogen in the intermediates 21 and 22.Compound 5 was deprotected with HC1 in dioxane to produce compound 23 in better than 97%yield. Boc-protection was introduced, using di-tert-butyl dicarbonate (1 .1 equivalent), and compound 21 was obtained in better than 95% yield. Compound 10 was coupled with compound 21 to obtain compound 22, using HATU and triethylamine in DMF. The product, compound 22, was obtained in quantitative yield, and greater than 90% purity. Deprotection with HC1 yielded the compound of Formula 12 in 97.4% yield.

2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte

methyl 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylate L-Phenylalanine, N-[(5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl]-3-(methylsulfonyl)-, phenylmethyl ester, hydrochloride (1:1)

2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.

Global( 173)Lieferanten
Firmenname Telefon E-Mail Land Produktkatalog Edge Rate
PharmOrgSyn Laboratories Co., Ltd. 		+86-021-38228826 +86-13916602830
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Shanghai Daken Advanced Materials Co.,Ltd 		+86-371-66670886
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Beijing Cooperate Pharmaceutical Co.,Ltd 		010-60279497
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Henan Tianfu Chemical Co.,Ltd. 		+86-0371-55170693 +86-19937530512
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career henan chemical co 		+86-0371-86658258 +8613203830695
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Cangzhou Wanyou New Material Technology Co.,Ltd 		18631714998
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Chengdu Pukang Biotechnology Co., Ltd 		028-82550498
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Changzhou Ditong Chemical Co.,Ltd 		+86-0519-88299272
info@edengenechem.com China 2158 58

851784-82-2()Verwandte Suche:

  • 2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
  • Lifitegrast intermediate
  • N-Boc- 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
  • 2-Boc-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid
  • 2,6(1H)-Isoquinolinedicarboxylic acid, 5,7-dichloro-3,4-dihydro-, 2-(1,1-dimethylethyl) ester
  • -(Tert-Butoxycarbonyl-5,7-Dichloro-1,2,3,4-T..
  • 5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
  • 2-(Tert-Butoxycarbonyl)-5,7-Dichloro-1,2,3,4-Tetrahydroisoqu...
  • 5,7-Dichloro-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-6-isoquinolinecarboxylic acid
  • 5,7-Dichloro-3,4-dihydro-2,6(1H)-isoquinolinedicarboxylic acid 2-(1,1-dimethylethyl) ester
  • LifitegrastImpurity40
  • 851784-82-2
  • 1194550-65-5
  • C15H17Cl2NO4
  • 851784-82-2
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