Butanoic-2,2-d2 acid(9CI)

Base Information

• Chemical Name: Butanoic-2,2-d2 acid(9CI)
• CAS No.: 19136-92-6
• Molecular Formula: C4H6 D2 O2
• Molecular Weight: 90.0904
• DSSTox Substance ID: DTXSID601315391
• Mol file: 19136-92-6.mol

Synonyms:Butanoic-2,2-d2 acid(9CI);19136-92-6;2,2-Dideuteriobutanoic acid;BUTYRIC-2,2-D2 ACID;butyric acid-d2;Butanoic-2,2-d2 acid;DTXSID601315391;AKOS015910569;D98810

Chemical Property of Butanoic-2,2-d2 acid(9CI)

Chemical Property:

• PSA: 37.30000
• LogP: 0.87110
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 90.064982986
• Heavy Atom Count: 6
• Complexity: 49.5

Purity/Quality:

99% ^*data from raw suppliers

Butyric-2,2-d2Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)O
• Isomeric SMILES: [2H]C([2H])(CC)C(=O)O
• Uses: Butyric-2,2-d2 Acid (CAS# 19136-92-6) is a useful isotopically labeled research compound.

Technology Process of Butanoic-2,2-d2 acid(9CI)

There total 1 articles about Butanoic-2,2-d2 acid(9CI) 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:

p-nitrophenyl butanoate-α-d2 → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2,2-d2-butanoic acid (19136-92-6)

Guidance literature:

With alkaline solution; In water; acetonitrile; at 24.9 - 25.1 ℃; Rate constant; carbonate buffer pH 10.70;

DOI:10.1021/ja00250a026

Reference yield:

Pentanedioic acid, monomethyl ester (1501-27-5) + 2,2-d2-butanoic acid (19136-92-6) → butanoic acid methyl ester (623-42-7) + dimethyl subarate (1732-09-8) + 3,3,4,4-tetradeuterio-hexane (32740-24-2) + C8H14(2)H2O2

Guidance literature:

With sodium methylate; In methanol; Further byproducts given; electrolysis;

Reference yield:

2,2-d2-butanoic acid (19136-92-6) → methyl valerate (624-24-8) + dimethyl sebacate (106-79-6) + 3,3,4,4-tetradeuterio-hexane (32740-24-2) + methyl 6,6-d2-octanoate

Guidance literature:

With sodium methylate; In methanol; Further byproducts given. Title compound not separated from byproducts; electrolysis;

Downstream raw materials:

butanoic acid methyl ester

dimethyl subarate

3,3,4,4-tetradeuterio-hexane

methyl valerate