Methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride

Base Information

• Chemical Name: Methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
• CAS No.: 30740-96-6
• Molecular Formula: C13H17NO4.ClH
• Molecular Weight: 287.73900
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID10589331
• Mol file: 30740-96-6.mol

Synonyms:30740-96-6;methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride;methyl 6,7-dimethoxy-1,2,3,4-tetra-hydroisoquinoline-3-carboxylate hydrochloride;methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride;METHYL 6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLATE HCL;DTXSID10589331;MFCD08594063;AKOS015846108;MCULE-7616157205;AS-42415;DB-334705;CS-0120044;Methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate--hydrogen chloride (1/1);methyl6,7-dimethoxy-1,2,3,4-tetra-hydroisoquinoline-3-carboxylatehydrochloride

Chemical Property of Methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride

Chemical Property:

• PSA: 56.79000
• LogP: 2.02190
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 287.0924357
• Heavy Atom Count: 19
• Complexity: 297

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 6,7-dimethoxy-1,2,3,4-tetra-hydroisoquinoline-3-carboxylate hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2CNC(CC2=C1)C(=O)OC)OC.Cl

Technology Process of Methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride

There total 3 articles about Methyl 6,7-dimethoxy-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: 81.5%

methanol (67-56-1) + 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrogen sulfate (88980-04-5) → methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride (30740-96-6)

Guidance literature:

With hydrogenchloride; for 72h; Heating;

DOI:10.1021/jm00371a002

Reference yield:

3-(3,4-dimethoxyphenyl)-2-aminopropionic acid (55-59-4) → methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride (30740-96-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 24 h / Ambient temperature

2: hydrogenchloride / 72 h / Heating

With hydrogenchloride; sulfuric acid;

DOI:10.1021/jm00371a002

Reference yield:

→ methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride (30740-96-6)

Guidance literature:

Verb. XII, Me., HCl;

upstream raw materials:

methanol

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrogen sulfate

3-(3,4-dimethoxyphenyl)-2-aminopropionic acid

Downstream raw materials:

C₄₇H₅₀N₂O₁₄

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