methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Base Information

Chemical Name:methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CAS No.:79799-05-6
Molecular Formula:C₁₁H₁₃NO₂
Molecular Weight:191.23
Hs Code.:2933499090
DSSTox Substance ID:DTXSID50375235
Nikkaji Number:J1.622.155D
Wikidata:Q76148879
Mol file:79799-05-6.mol

Synonyms:79799-05-6;methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;(S)-METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLATE;(S)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid methyl ester;METHYL 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3(S)-CARBOXYLATE;SCHEMBL1491696;DTXSID50375235;methyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;YTNGWXICCHJHKA-JTQLQIEISA-N;AKOS006282991;AC-6481;(S)-methyl 1,2,3,4-tetrahydroisoquinoline;EN300-2712943;A839761;methyl (S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate;(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylicacidmethylester;(S)-METHYL1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLATE;(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester;1,2,3,4-Tetrahydroisoquinoline-3alpha-carboxylic acid methyl ester

Suppliers and Price of methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

J&W Pharmlab
Methyl1,2,3,4-tetrahydro-isoquinoline-3(S)-carboxylate 96%
1g
$ 98.00

J&W Pharmlab
Methyl1,2,3,4-tetrahydro-isoquinoline-3(S)-carboxylate 96%
500mg
$ 88.00

J&W Pharmlab
Methyl1,2,3,4-tetrahydro-isoquinoline-3(S)-carboxylate 96%
250mg
$ 78.00

J&W Pharmlab
Methyl1,2,3,4-tetrahydro-isoquinoline-3(S)-carboxylate 96%
25g
$ 1590.00

J&W Pharmlab
Methyl1,2,3,4-tetrahydro-isoquinoline-3(S)-carboxylate 96%
5g
$ 398.00

American Custom Chemicals Corporation
(S)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER 95.00%
1G
$ 229.95

Total 9 raw suppliers

Chemical Property of methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Chemical Property:

PSA：38.33000
LogP:1.20270
XLogP3:1.3
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

Methyl1,2,3,4-tetrahydro-isoquinoline-3(S)-carboxylate 96% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1CC2=CC=CC=C2CN1
Isomeric SMILES:COC(=O)[C@@H]1CC2=CC=CC=C2CN1

Technology Process of methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

There total 20 articles about methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-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: 100.0%

: 67-56-1
methanol

: 74163-81-8
L-Tic-OH

: 79815-19-3,79799-05-6
methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

Guidance literature:: With thionyl chloride;
DOI:10.3987/COM-05-10571

Reference yield: 100.0%

: 252008-94-9,189563-75-5
methyl (3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

: 79815-19-3,79799-05-6
methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

Guidance literature:: methyl (3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 0.25h;
DOI:10.1016/S0040-4039(01)01526-X