Methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Base Information

• Chemical Name: Methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
• CAS No.: 32909-74-3
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.23
• DSSTox Substance ID: DTXSID10602872
• Mol file: 32909-74-3.mol

Synonyms:32909-74-3;methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate;1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER;SCHEMBL3609322;DTXSID10602872;1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid methyl ester;MFCD15474920;AKOS010987717;SB36623;DA-06853;CS-0451096;EN300-95257;F30831;A913243;methyl1,2,3,4-tetrahydroisoquinoline-1-carboxylate;Methyl 1,2,3,4-tetrahydro-1-isoquinolinecarboxylate

Chemical Property of Methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Chemical Property:

• PSA: 38.33000
• LogP: 1.37520
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

1,2,3,4-Tetrahydro-isoquinoline-1-carboxylicacidmethylester 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1C2=CC=CC=C2CCN1

Technology Process of Methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate

There total 3 articles about Methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

dihydro isoquinoline-1-methyl formate → 1-methoxycarbonyl-1,2,3,4-tetrahydroisoquinoline (32909-74-3)

Guidance literature:

With 10% Ru/C; hydrogen; 1-hexyl-3-methylimidazolium hexafluorophosphate; In ethanol; at 65 ℃; for 24h; Reagent/catalyst; Temperature; Sealed tube;

Reference yield:

methanol (67-56-1) + 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (41034-52-0) → 1-methoxycarbonyl-1,2,3,4-tetrahydroisoquinoline (32909-74-3)

Guidance literature:

With thionyl chloride; triethylamine; Multistep reaction; 1.) reflux, overnight, 2.) water, RT, 2 h;

DOI:10.1021/jm00363a011

Reference yield:

→ 1-methoxycarbonyl-1,2,3,4-tetrahydroisoquinoline (32909-74-3)

Guidance literature:

upstream raw materials:

methanol

1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

Downstream raw materials:

(-)-Praziquantel

(R)-(-)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one

C₁₇H₁₈N₂O

2-[(3-mercapto)-1-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid