(S)-1,2,3,4-Tetrahydroquinoline-2-carboxylic acid methyl ester

Base Information

Chemical Name:(S)-1,2,3,4-Tetrahydroquinoline-2-carboxylic acid methyl ester
CAS No.:63492-82-0
Molecular Formula:C11H13NO2
Molecular Weight:191.23
Hs Code.:2933499090
DSSTox Substance ID:DTXSID10426116
Nikkaji Number:J1.033.482I
Wikidata:Q72506902
Mol file:63492-82-0.mol

Synonyms:63492-82-0;(S)-1,2,3,4-Tetrahydroquinoline-2-carboxylic acid methyl ester;(S)-methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;methyl (2S)-1,2,3,4-tetrahydroquinoline-2-carboxylate;(S)-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER;SCHEMBL7433964;DTXSID10426116;AKOS006272541;AC-6480;PS-17879;A8741;Q-103210;Q-103211;(S)-methyl1,2,3,4-tetrahydroquinoline-2-carboxylate;1,2,3,4-Tetrahydroquinoline-2alpha-carboxylic acid methyl ester;(S)-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester, AldrichCPR

Suppliers and Price of (S)-1,2,3,4-Tetrahydroquinoline-2-carboxylic acid methyl ester

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

American Custom Chemicals Corporation
(S)-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER 95.00%
1G
$ 942.31

AK Scientific
(S)-1,2,3,4-Tetrahydroquinoline-2-carboxylicacidmethylester
250mg
$ 247.00

Total 27 raw suppliers

Chemical Property of (S)-1,2,3,4-Tetrahydroquinoline-2-carboxylic acid methyl ester

Chemical Property:

Vapor Pressure:0.000449mmHg at 25°C
Refractive Index:1.532
Boiling Point:315 °C at 760 mmHg
PKA:3.08±0.40(Predicted)
Flash Point:144.3 °C
PSA：38.33000
Density:1.125 g/cm³
LogP:1.72430
XLogP3:2.3
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

(S)-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 25
Safety Statements: 45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1CCC2=CC=CC=C2N1
Isomeric SMILES:COC(=O)[C@@H]1CCC2=CC=CC=C2N1

Technology Process of (S)-1,2,3,4-Tetrahydroquinoline-2-carboxylic acid methyl ester

There total 20 articles about (S)-1,2,3,4-Tetrahydroquinoline-2-carboxylic acid methyl ester 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: 46.0%

: 63430-79-5
1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester

: 63492-82-0
methyl (2S)-1,2,3,4-tetrahydroquinoline-2-carboxylate

: 63492-81-9
methyl (2R)-1,2,3,4-tetrahydroquinoline-2-carboxylate

Guidance literature:: With Chiralpak IA 20 μm; In methanol; Resolution of racemate; Large scale;
DOI:10.1021/acs.oprd.9b00364

Reference yield: 41.0%

: 63430-79-5
1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester

: 63492-82-0
methyl (2S)-1,2,3,4-tetrahydroquinoline-2-carboxylate

Guidance literature:: With α-chymotrypsine; at 30 ℃; for 72h; pH=7.4 - 7.5; optical yield given as %ee; Resolution of racemate; S?rensen-buffer; Enzymatic reaction;
DOI:10.1002/anie.201007673

Reference yield:

: 19575-07-6
quinoline-2-carboxylic acid methyl ester

: 63492-82-0
methyl (2S)-1,2,3,4-tetrahydroquinoline-2-carboxylate

: 63492-81-9
methyl (2R)-1,2,3,4-tetrahydroquinoline-2-carboxylate

Guidance literature:: With (R)-(-)-5,5’-bis(diphenyl;phosphine)-2,2,2’,2’-tetrafluoro-4,4’-bi-1,3-benzodioxole; bis(1,5-cyclooctadiene)diiridium(I) dichloride; hydrogen; iodine; In toluene; at 20 ℃; for 17h; under 37503.8 Torr; optical yield given as %ee; enantioselective reaction; Autoclave;
DOI:10.1016/j.tetlet.2012.06.114