Dopamine, methyl ester

Base Information

• Chemical Name: Dopamine, methyl ester
• CAS No.: 40611-00-5
• Molecular Formula: C10H13 N O4 . Cl H
• Molecular Weight: 247.678
• NSC Number: 295453,166838
• DSSTox Substance ID: DTXSID30859644
• ChEMBL ID: CHEMBL1439696
• Mol file: 40611-00-5.mol

Synonyms:40611-00-5;SMR000145236;MLS000551310;NSC-295453;Dopamine, methyl ester;SCHEMBL1149493;CHEMBL1439696;methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride;DTXSID30859644;NSC166838;NSC295453;AKOS030511204;NSC-166838;FT-0633533;DL-3-Hydroxytyrosine methyl ester hydrochloride;EN300-717696;MLS-0073729.0001;3,4-Dihydroxy-DL-phenylalanine methyl ester HCl;METHYL 2-AMINO-3-(3,4-DIHYDROXYPHENYL)PROPANOATE HYDROCHLORIDE

Chemical Property of Dopamine, methyl ester

Chemical Property:

• Boiling Point: 384.4°Cat760mmHg
• Flash Point: 186.3°C
• PSA: 92.78000
• Density: 1.322g/cm³
• LogP: 1.64290
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 247.0611356
• Heavy Atom Count: 16
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dihydroxy-DL-phenylalaninemethylesterHCl 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC(=C(C=C1)O)O)N.Cl

Technology Process of Dopamine, methyl ester

There total 4 articles about Dopamine, methyl ester 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:

methanol (67-56-1) + dopa (63-84-3,90638-38-3) → DL-3-(3,4-dihydroxyphenyl)alanine methyl ester hydrochloride (40611-00-5)

Guidance literature:

With thionyl chloride; for 48h; Ambient temperature;

DOI:10.1021/jo00301a008

Reference yield:

(-)-2-amino-3-(3,4-dimethoxyphenyl)propionamide → DL-3-(3,4-dihydroxyphenyl)alanine methyl ester hydrochloride (40611-00-5)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; water / 20 h / Reflux

2: hydrogen bromide / 100 °C / Inert atmosphere

3: hydrogenchloride / 2 h / 60 - 70 °C

With hydrogenchloride; water; hydrogen bromide;

Reference yield:

3,4-dimethoxyphenylacetone (776-99-8) → DL-3-(3,4-dihydroxyphenyl)alanine methyl ester hydrochloride (40611-00-5)

Guidance literature:

Multi-step reaction with 4 steps

1: N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; potassium chloride; ammonia / 27 h / 0 - 20 °C

2: hydrogenchloride; water / 20 h / Reflux

3: hydrogen bromide / 100 °C / Inert atmosphere

4: hydrogenchloride / 2 h / 60 - 70 °C

With hydrogenchloride; potassium chloride; N-benzyl-N,N,N-triethylammonium chloride; ammonia; water; hydrogen bromide; sodium hydroxide;

upstream raw materials:

methanol

dopa

3,4-dimethoxyphenylacetone

Downstream raw materials:

3,4-dihydroxy-N-(N,N-phthaloyl-glycyl)-DL-phenylalanine-methyl ester

2-amino-3-(3,4-dihydroxyphenyl)propanamide

3,4-Dihydroxyphenyl-N-alanin-methylester

DL-dopachrome methyl ester