(s)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride

Base Information

• Chemical Name: (s)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
• CAS No.: 57060-88-5
• Molecular Formula: C11H14ClNO2
• Molecular Weight: 227.691
• Hs Code.: 2933499090
• European Community (EC) Number: 865-328-6
• DSSTox Substance ID: DTXSID80972534
• Mol file: 57060-88-5.mol

Synonyms:78183-55-8;(s)-methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride;Methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Hydrochloride;methyl 1,2,3,4-tetrahydro-isoquinoline-3(s)-carboxylate hydrochloride;(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester, HCl;methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride;(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylicacid methyl ester hydrochloride;L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HCL;(S)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate HCl;MFCD05861484;SCHEMBL10749367;DTXSID80972534;BUXCBOUGBHWQBE-PPHPATTJSA-N;AKOS024258755;AC-29418;AS-39130;A8147;EN300-7406315;A865083;Z1741961026;(3S)-methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride;3-Isoquinolinecarboxylicacid,1,2,3,4-tetrahydro-,methyl ester,hydrochloride(1:1),(3S)-;Methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride (1:1);Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate--hydrogen chloride (1/1)

Chemical Property of (s)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride

Chemical Property:

• Vapor Pressure: 0.0013mmHg at 25°C
• Boiling Point: 298°C at 760 mmHg
• Flash Point: 134.1°C
• PSA: 38.33000
• Density: 1.125g/cm³
• LogP: 1.20270
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.0713064
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

98%min ^*data from raw suppliers

Methyl1,2,3,4-tetrahydroisoquinoline-3-carboxylatehydrochloride ^*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.Cl
• Isomeric SMILES: COC(=O)[C@@H]1CC2=CC=CC=C2CN1.Cl

Technology Process of (s)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride

There total 6 articles about (s)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride 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%

methanol (67-56-1) + (R,S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (67123-97-1) → 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,methyl ester hydrochloride (57060-88-5)

Guidance literature:

With thionyl chloride;

Reference yield: 94.4%

(R,S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (67123-97-1) → 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,methyl ester hydrochloride (57060-88-5)

Guidance literature:

With thionyl chloride; In methanol; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2016.05.033

Reference yield: 91.4%

methanol (67-56-1) + (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride (77497-95-1) → 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,methyl ester hydrochloride (57060-88-5)

Guidance literature:

With thionyl chloride; for 4h; Heating;

DOI:10.1248/cpb.31.312

upstream raw materials:

methanol

1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ; hydrochloride

(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

(R,S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Downstream raw materials:

4-Acetyl-2-(4-chloro-phenyl)-9,10-dihydro-2H,9aH-2,3,4a-triaza-anthracen-1-one

4-Acetyl-2-phenyl-9,10-dihydro-2H,9aH-2,3,4a-triaza-anthracen-1-one

(+/-)-10,10a-Dihydro-2-phenylimidazo<1,5-b>isoquinoline-1,3(2H,5H)-dione

Bis-Boc-Guan-Dmt-Tic-OMe

Refernces

• 1、 Liang, Chuanpeng,Hao, Huilin,Wu, Xingkang,Li, Zhenyu,Zhu, Jing,Lu, Chunhua,Shen, Yuemao. "Design and synthesis of N-(5-chloro-2,4-dihydroxybenzoyl)-(R)-1,2,3,4-tetrahydroisoquinoline-3-carboxamides as novel Hsp90 inhibitors". . p. 272 - 282. Retrieved 2016.
• 2、 El-Abadelah, Mustafa M.,Hussein, Ahmad Q.,Thaher, Bassam A.. "HETEROCYCLES FROM NITRILE IMINES. PART IV. CHIRAL 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES". . p. 1879 - 1895. Retrieved 2007/10/02.