beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, methyl ester , (R)-

Base Information

• Chemical Name: beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, methyl ester , (R)-
• CAS No.: 50692-78-9
• Molecular Formula: C10H19 N O5
• Molecular Weight: 233.265
• Mol file: 50692-78-9.mol

Synonyms:Pantothenicacid, methyl ester (6CI); b-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, methyl ester, (R)-;D-Pantothenic acid methyl ester; Methyl D-pantothenate; Methyl pantothenate

Chemical Property of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, methyl ester , (R)-

Chemical Property:

• Vapor Pressure: 2.17E-10mmHg at 25°C
• Boiling Point: 459.9°C at 760 mmHg
• PKA: 12.96±0.20(Predicted)
• Flash Point: 231.9°C
• PSA: 95.86000
• Density: 1.175g/cm³
• LogP: -0.56400

Purity/Quality:

99% ^*data from raw suppliers

MethylD-Pantothenate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl D-Pantothenate is an ester of Methyl D-Pantothenic Acid (P190305) which is an essential vitamin for the biosynthesis of coenzyme A in mammalian cells.

Technology Process of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, methyl ester , (R)-

There total 10 articles about beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, methyl ester , (R)- 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: 77.0%

methanol (67-56-1) + D-calcium pantothenate → methyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate (50692-78-9)

Guidance literature:

With methanesulfonic acid; at 20 - 30 ℃; for 42.5h;

Reference yield: 74.0%

methyl 3-aminopropanoate hydrochloride (3196-73-4) + (R)-Pantolacton (599-04-2) → methyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate (50692-78-9)

Guidance literature:

methyl 3-aminopropanoate hydrochloride; With diethylamine; In methanol; at 0 ℃; for 0.25h; Inert atmosphere;

(R)-Pantolacton; In methanol; at 60 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.bmc.2018.10.042

Reference yield:

methanesulfonic acid (75-75-2,98527-29-8) + calcium (R)-pantothenate (137-08-6) → methyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate (50692-78-9)

Guidance literature:

In methanol; at 20 ℃; for 72h;

upstream raw materials:

methyl 3-aminopropanoate

pantolactone

diazomethane

2,2-dimethyl-3-hydroxypropionaldehyde

Downstream raw materials:

D-pantothenic acid 4'-phosphate

pantothenic acid propyl thioester

S-propyl 3-[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutyrylamino]thiopropionate

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