6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Base Information

• Chemical Name: 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
• CAS No.: 76824-86-7
• Molecular Formula: C₁₂H₁₅NO₄
• Molecular Weight: 237.255
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID20390278
• Nikkaji Number: J2.287.100E
• Mol file: 76824-86-7.mol

Synonyms:6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;M1 alkaloid

Chemical Property of 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.49E-08mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 434.8°C at 760 mmHg
• Flash Point: 216.7°C
• PSA: 67.79000
• Density: 1.232g/cm³
• LogP: 1.13150
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 237.10010796
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

98%min ^*data from raw suppliers

6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

There total 3 articles about 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 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:

(S)-2-amino-3-(3,4-dimethoxyphenyl)propanoic acid hydrochloride (69274-24-4) → (S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (76824-86-7,88980-03-4,103733-66-0)

Guidance literature:

With hydrogenchloride; formaldehyd; In phosphorus pentaoxide; water;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-(3,4-dimethoxyphenyl)-2-aminopropionic acid (55-59-4) → 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (76824-86-7)

Guidance literature:

With hydrogenchloride;

Reference yield:

→ 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (76824-86-7)

Guidance literature:

/BRN= 658630/, HCHO, 5percentig HCl, Δ;

upstream raw materials:

formaldehyd

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

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

Downstream raw materials:

C₁₇H₁₅NO₈

(S)-2-(2-(4-chlorophenyl)acetyl)-6,7-dimethoxy-N-methyl-N-(4-(2-oxopiperidin-1-yl)phenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C₂₀H₂₀ClNO₅

(S)-methyl 2-(2-(4-chlorophenyl)acetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate