alpha-Methyldopa hydrochloride

Base Information

• Chemical Name: alpha-Methyldopa hydrochloride
• CAS No.: 884-39-9
• Molecular Formula: C10H14ClNO4
• Molecular Weight: 247.6755
• DSSTox Substance ID: DTXSID20237018
• Mol file: 884-39-9.mol

Synonyms:alpha-Methyldopa hydrochloride;884-39-9;alpha-Methyldopa HCl;Methyldopa hydrochloride;MK-351 hydrochloride;L-(-)-|A-Methyldopa hydrochloride;Methyldopa (hydrochloride);3-Hydroxy-alpha-methyl-L-tyrosine hydrochloride;L-Tyrosine, 3-hydroxy-alpha-methyl-, hydrochloride;L-(-)-alpha-Methyldopa (hydrochloride);(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;hydrochloride;L-(-)-alpha-Methyldopa hydrochloride;C10H13NO4.ClH;SCHEMBL2491162;HY-B0225A;DTXSID20237018;L-(-)-a-Methyldopa hydrochloride;L-Tyrosine, 3-hydroxy-.alpha.-methyl-, hydrochloride;Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, hydrochloride, L-;L-(-)-AfAE'A centa' notA inverted exclamation markAfasA'A|AfAE'Adaggeratrade mark?-Methyldopa (hydrochloride)

Chemical Property of alpha-Methyldopa hydrochloride

Chemical Property:

• Vapor Pressure: 1.41E-08mmHg at 25°C
• Boiling Point: 441.6°C at 760 mmHg
• Flash Point: 220.9°C
• PSA: 103.78000
• LogP: 1.94460
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 247.0611356
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

>98 % ^*data from raw suppliers

Methyldopa(hydrochloride) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.Cl
• Isomeric SMILES: C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.Cl

Technology Process of alpha-Methyldopa hydrochloride

There total 4 articles about alpha-Methyldopa 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: 94.0%

(R)-4-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-phenyloxazol-5(4H)-one (1369423-38-0) → C10H13NO4*ClH (1369423-51-7,884-39-9)

Guidance literature:

With hydrogenchloride; acetic acid; phenol;

DOI:10.1002/chem.201302390

Reference yield: 12.0%

tert-butyl 2-(benzhydrylideneamino)-3-(3,4-dimethoxyphenyl)-2-methylpropanoate → 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid hydrochloride (1369423-51-7,884-39-9)

Guidance literature:

tert-butyl 2-(benzhydrylideneamino)-3-(3,4-dimethoxyphenyl)-2-methylpropanoate; With water; hydrogen bromide; at 100 ℃; for 4h;

With hydrogenchloride; In water; acetonitrile;

Reference yield:

(S)-2-(1-naphthamido)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylpropanoic acid (1395919-80-8) → (S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid hydrochloride (1369423-51-7,884-39-9)

Guidance literature:

With hydrogenchloride; acetic acid; In phenol; at 115 ℃; for 4h; Temperature; Time; Sealed tube; Inert atmosphere;

DOI:10.1021/jo301588t

upstream raw materials:

(S)-3-(1-naphthoyl)-4-(benzo[d][1,3]dioxol-5-ylmethyl)-2,2,4-trimethyloxazolidin-5-one

(S)-2-(1-naphthamido)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylpropanoic acid

(R)-4-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-phenyloxazol-5(4H)-one

Downstream raw materials:

2-acetamidoethyl S-3-(3,4-dihydroxyphenyl)-2-methylalaninate

Refernces

• 1、 -. "(S)-ALPHA-FLUOROMETHYLTYROSINE AS DECARBOXYLASE INHIBITORS FOR USE IN THE TREATMENT OF HYPOTENSION". Paragraph 0159; 0191. . Retrieved 2021/12/31.
• 2、 Trost, Barry M.,Czabaniuk, Lara C.. "Palladium-catalyzed asymmetric benzylation of azlactones". . p. 15210 - 15218. Retrieved 2013/11/06.