(S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

Base Information

• Chemical Name: (S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
• CAS No.: 82586-62-7
• Molecular Formula: C12H15NO4^.HCl
• Molecular Weight: 273.716
• Hs Code.: 29334900
• UNII: IN2U440Y6D
• Wikidata: Q27280802
• Mol file: 82586-62-7.mol

Synonyms:82586-62-7;(S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride;(S)-(-)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride;6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, (S)-;UNII-IN2U440Y6D;IN2U440Y6D;(S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride;(S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, HCl;(S)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, hydrochloride;3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1), (3S)-;6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, (-)-;(S)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid HCl;(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid Hydrochloride;CS-WAA0111;SCHEMBL7221540;(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride;ROWPWZMWICGKBY-FVGYRXGTSA-N;MFCD01861226;AKOS007930124;AKOS015889775;AC-9337;(S)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacidhydrochloride;TS-00925;CS-0035068;D4375;A846429;J-502317;Q27280802;(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic Acid HCl;(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic Acid Hydrochloride;(S)-(-)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, 97%;(S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic Acid Hydrochloride

Chemical Property of (S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 2.49E-08mmHg at 25°C
• Melting Point: 280-285 °C
• Boiling Point: 434.8 °C at 760 mmHg
• Flash Point: 216.7 °C
• PSA: 67.79000
• LogP: 1.93350
• Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
• Solubility.: Aqueous Acid
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 273.0767857
• Heavy Atom Count: 18
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylicAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2CNC(CC2=C1)C(=O)O)OC.Cl
• Isomeric SMILES: COC1=C(C=C2CN[C@@H](CC2=C1)C(=O)O)OC.Cl
• Uses: Moexipril intermediate Moexipril intermediate.

Technology Process of (S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

There total 16 articles about (S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 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: 90.9%

(S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-(tert-butyloxycarbonyl)-3-isoquinolinecarboxylic acid (358627-67-5) → (S)‐6,7‐dimethoxy‐1,2,3,4-tetrahydroisoquinoline‐3‐carboxylate hydrochloride (82586-62-7)

Guidance literature:

With hydrogenchloride; In methanol; water; at 60 ℃; for 2h;

Reference yield: 88.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (S)-3,4-dimethoxyphenylalanine (32161-30-1) → (S)‐6,7‐dimethoxy‐1,2,3,4-tetrahydroisoquinoline‐3‐carboxylate hydrochloride (82586-62-7)

Guidance literature:

With hydrogenchloride; In water; at 90 ℃; for 3h; Sealed tube;

DOI:10.1002/chem.201904400

Reference yield: 57.0%

(L)-3,4-dimethoxyphenylalanine methyl ester trifluoroacetate + formaldehyd (50-00-0,30525-89-4,61233-19-0) → (S)‐6,7‐dimethoxy‐1,2,3,4-tetrahydroisoquinoline‐3‐carboxylate hydrochloride (82586-62-7)

Guidance literature:

With hydrogenchloride; water; Reflux;

DOI:10.1039/c1cc13179f

upstream raw materials:

formaldehyd

(S)-2-amino-3-(3,4-dimethoxyphenyl)propanoic acid hydrochloride

(Z)-2-phenyl-4-(3,4-dimethoxybenzylidene)-(4H)-1,3-oxazol-5-one

methyl (Z)-2-benzoylamino-3-(3,4-dimethoxyphenyl)-2-propenoate

Downstream raw materials:

tert-butyl (S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

(S)-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid, phenylmethylester, hydrochloride