(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

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:

97% ^*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
• General Description: 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride is a derivative of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (Tic), which has been utilized as a scaffold in the design of novel Hsp90 inhibitors for antitumor drug development. The (R)- and (S)-enantiomers of Tic derivatives, such as those described in the synthesis of N-(5-chloro-2,4-dihydroxybenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamides, demonstrate potential in stabilizing Hsp90α and exhibiting cytotoxic effects against cancer cell lines. These findings highlight its relevance as a structural motif in medicinal chemistry for targeting Hsp90 and developing anticancer agents.

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

2-(4-Fluoro-phenyl)-1-oxo-1,9,9a,10-tetrahydro-2H-2,3,4a-triaza-anthracene-4-carboxylic acid methyl ester

3-(aminocarbonyl)-1,2,3,4-tetrahydroisoquinoline

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 57060-88-5 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE

Send

Send

Metric Ton KG G Pound L ML

Send

Send