860436-56-2

Basic information

• Product Name: tert-butyl 5-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
• Synonyms: tert-butyl 5-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
• CAS NO: 860436-56-2
• Molecular Formula: C15H21NO3
• Molecular Weight: 263.33214
• Mol File: 860436-56-2.mol

Chemical Properties

• Boiling Point: 382.7±42.0 °C(Predicted)
• Appearance: /
• Density: 1.104±0.06 g/cm3(Predicted)
• PKA: -1.50±0.20(Predicted)
• CAS DataBase Reference: tert-butyl 5-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 5-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate(860436-56-2)
• EPA Substance Registry System: tert-butyl 5-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate(860436-56-2)

Safety Data

• Hazardous Substances Data: 860436-56-2(Hazardous Substances Data)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 2045-79-6 o-methoxy-2-phenylethylamine 
• 103030-70-2 5-methoxy-1,2,3,4-tetrahydro-isoquinoline 

Downstream Products

• 860437-59-8 1,2,3,4- tetrahydroisoquinolin-5-ol hydrobromide 

Relevant articles and documents

SAR studies of capsazepinoid bronchodilators. Part 1: The importance of the catechol moiety and aspects of the B-ring structure

Capsazepine as well as its derivatives and analogues are general inhibitors of constriction of human small airways. From a systematic variation of the capsazepine structure, divided into four regions, SARs were established. This part concerns the catechol moiety of the A-ring as well as the 2,3,4,5-tetrahydro-1H-2-azepine moiety (the B-ring) of capsazepine. It is revealed that a conformational constrain (as a fused ring) is important and that compounds with a six-membered B-ring (as a 1,2,3,4-tetrahydroisoquinoline) in general are more potent than the corresponding isoindoline, 2,3,4,5-tetrahydro-1H-2-benzazepine and 2,3,4,5-tetrahydro-1H-3-benzazepine derivatives.

Bronchorelaxing compounds

A compound of the general formula (I) including its pharmaceutically acceptable acid addition salts wherein A is CHR9, wherein R9 is H, C1-C6 alkyl; n is 1-3; B is CHR10, wherein R10 is H, C1-C6 alkyl; m is 1 or 2; D is O or S or optionally NR16, wherein R16 is H, C1-C6 alkyl or C2-C6 acyl; E is CR11R12 or NR13, wherein R11 and R12 are, independent of each other, H or C1-C6 alkyl, R13 is H or C1-C6 alkyl; F is C1-C18 alkyl which may be mono- or di-unsaturated and/or substituted, is useful in treating and preventing pulmonary disease characterized by bronchoconstriction. Also disclosed are pharmaceutical compositions comprising the compound and methods for their manufacture.