170097-67-3

Basic information

• Product Name: 2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID
• Synonyms: 3,4-DIHYDRO-1H-ISOQUINOLINE-2,6-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER;2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBONIC ACID;2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID;N-BOC-6-HYDROXYCARBONYL-1,2,3,4-TETRAHYDROISOQUINOLINE;N-BOC-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID;N-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic;2-Boc-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid;2,6(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester
• CAS NO: 170097-67-3
• Molecular Formula: C₁₅H₁₉NO₄
• Molecular Weight: 277.32
• Product Categories: pharmacetical
• Mol File: 170097-67-3.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 429.3 °C at 760 mmHg
• Flash Point: 213.4 °C
• Appearance: /
• Density: 1.221 g/cm³
• Vapor Pressure: 3.93E-08mmHg at 25°C
• Refractive Index: 1.563
• Storage Temp.: 2-8°C
• PKA: 4.33±0.20(Predicted)
• CAS DataBase Reference: 2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID(170097-67-3)
• EPA Substance Registry System: 2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID(170097-67-3)

Safety Data

• Hazardous Substances Data: 170097-67-3(Hazardous Substances Data)

Usage

Uses

N-Boc-1,2,3,4-Tetrahydroisoquinoline-6-carboxylic Acid is the starting material used to prepare benzazole derivatives as β-secretase inhibitors useful in treatment and prevention of diseases.

InChI:InChI=1/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-8-11(13(17)18)4-5-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)

Upstream product

• 34784-05-9 6-bromo-isoquinoline 
• 226942-29-6 6-bromo-1,2,3,4-tetrahydroisoquinoline 
• 893566-74-0 6-bromo-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline 
• 24424-99-5 di-tert-butyl dicarbonate 
• 124-38-9 carbon dioxide 
• 1194550-56-5 5,7-dichloro-2-trityl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid 
• 173089-82-2 isoquinoline-6-carboxylic acid methyl ester 
• 106778-42-1 isoquinoline-6-carbonitrile 
• 185057-00-5 methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate 
• 877861-62-6 methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate hydrochloride 
• 158984-84-0 6-trifluoromethanesulfonyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester 
• 158984-83-9 N-tert-butoxycarbonyl-6-hydroxy-1,2,3,4-tetrahydroisoquinoline 
• 63905-73-7 6-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 
• 170097-66-2 3,4-Dihydro-1H-isoquinoline-2.6-dicarboxylic acid 2-tert-butyl ester-6-methyl ester 

Downstream Products

• 1111882-14-4 1,1-dimethylethyl 6-[({1-[(3,4-dichlorophenyl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}amino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate 
• 949922-27-4 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone 
• 947672-49-3 3-(4-(2-(cyclopropylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-6-ylamino)-5-methylpyrimidin-2-ylamino)benzenesulfonamide 
• 1202755-95-0 3-(4-(2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ylamino)-5-methylpyrimidin-2-ylamino)benzenesulfonamide 
• 1202759-69-0 C₂₀H₂₂N₆O₂S 
• 164148-92-9 tert-butyl 6-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate 
• 1200399-64-9 N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-1,2,3,4-tetrahydro-6-isoquinolinecarboxamide hydrochloride 
• 1200399-90-1 N-{2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl}-1,2,3,4-tetrahydro-6-isoquinolinecarboxamide hydrochloride 
• 1200399-91-2 N-{4-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}-1,2,3,4-tetrahydro-6-isoquinolinecarboxamide hydrochloride 
• 1200399-98-9 N-(4-methyl-5-{[(phenylmethyl)amino]carbonyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydro-6-isoquinolinecarboxamide 
• 1035189-06-0 N-(5-methyl-1-{[2-(methyloxy)phenyl]methyl}-1H-pyrazol-3-yl)-1,2,3,4-tetrahydro-6-isoquinolinecarboxamide hydrochloride 
• 1598386-37-8 4-(5-bromo-2-(2-carbamimidoyl-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid trifluoroacetate 
• 1579517-52-4 C₃₁H₃₄N₄O₄ 
• 1579517-50-2 C₃₆H₄₂N₄O₆ 

Relevant articles and documents

Discovery of HDAC6-Selective Inhibitor NN-390 with in Vitro Efficacy in Group 3 Medulloblastoma

Histone deacetylase 6 (HDAC6) has been targeted in clinical studies for anticancer effects due to its role in oncogenic transformation and metastasis. Through a second-generation structure–activity relationship (SAR) study, the design, and biological eval

Lifitegrast impurity and preparation method thereof

The invention discloses a lifitegrast impurity I and a preparation method thereof. The lifitegrast impurity I can be prepared by a directional synthesis method through structural analysis of the impurity, and the preparation method specifically comprises the following steps: taking I-2 as a starting raw material, and performing multi-step reaction to obtain the lifitegrast impurity I. The structural formula of the lifitegrast impurity I is as shown in the specification. The impurity prepared by the method is high in purity, the problem of difficulty in preparation of the lifitegrast impurity is solved, and the application of the impurity in quality control of a lifitegrast raw material and a preparation thereof is provided, so that the medication safety of lifitegrast is improved.

HETEROCYCLIC COMPOUND

The problem of the present invention is to provide a compound having a superior RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like. The present invention relates to a compound represented by the formula (I): [wherein each symbol is as described in the DESCRIPTION] or a salt thereof, which has an RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like.