2,3-Dimethylbutanoic acid

Base Information

• Chemical Name: 2,3-Dimethylbutanoic acid
• CAS No.: 14287-61-7
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16
• Hs Code.: 2915900090
• European Community (EC) Number: 238-208-0
• UNII: AOH0HXV1UJ
• DSSTox Substance ID: DTXSID70871229
• Nikkaji Number: J216.939H
• Wikidata: Q27117929
• Mol file: 14287-61-7.mol

Synonyms:2,3-dimethylbutanoic acid;14287-61-7;2,3-DIMETHYLBUTYRIC ACID;2,3,3-TRIMETHYLPROPIONIC ACID;Butanoic acid, 2,3-dimethyl-;2,3-methylbutanoic acid;AOH0HXV1UJ;(1)-2,3-Dimethylbutyric acid;EINECS 238-208-0;EINECS 244-813-0;22160-11-8;2,3-dimethyl-butyric acid;2,3-Dimethyl butyric acid;UNII-AOH0HXV1UJ;2,3-dimethylbutanoicacid;SCHEMBL98664;Butyric acid, 2,3-dimethyl-;alpha,beta-dimethylbutanoic acid;2,3,3-trimethyl propanoic acid;CHEBI:38650;(+-)-2,3-dimethylbutyric acid;DTXSID70871229;2,3-DIMETHYL-BUTANOIC ACID;MFCD00045888;AKOS008145318;SB46076;SB46728;BS-12907;(+/-)-2,3-DIMETHYLBUTANOIC ACID;CS-0138076;FT-0637049;FT-0667336;FT-0773768;EN300-76184;A26747;F17074;J-506845;Q27117929;Z756391682

Chemical Property of 2,3-Dimethylbutanoic acid

Chemical Property:

• Melting Point: -0.8°C
• Refractive Index: 1.4146
• Boiling Point: 190.7 °C at 760 mmHg
• PKA: 4.81±0.11(Predicted)
• Flash Point: 83.4 °C
• PSA: 37.30000
• Density: 0.944 g/cm³
• LogP: 1.36310
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 86.5

Purity/Quality:

99% ^*data from raw suppliers

2,3-DimethylbutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)C(=O)O

Technology Process of 2,3-Dimethylbutanoic acid

There total 54 articles about 2,3-Dimethylbutanoic 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: 100.0%

ethyl 2-(benzo[d]thiazol-2-ylsulfonyl)-2,3-dimethylbutanoate → 2,3-dimethylbutyric acid (14287-61-7)

Guidance literature:

With sodium; In ethanol; at 20 ℃; for 14h; Inert atmosphere;

DOI:10.1071/CH14085

Reference yield: 96.0%

2,3-dimethyl-butanoic acid, ethyl ester (54004-42-1) → 2,3-dimethylbutyric acid (14287-61-7)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide;

Reference yield: 95.0%

3-methylbutyric acid (503-74-2) + methyl iodide (74-88-4) → 2,3-dimethylbutyric acid (14287-61-7)

Guidance literature:

via the lithium dianion;

DOI:10.1002/hlca.19820650104

upstream raw materials:

brassicasterol acetate

2,3-dimethyl-2-butenoic acid

(-)-(3R,1E)-[tert-butyl-(3,4-dimethyl-pent-1-enyl)(dimethyl)]silane

ethyl 2,3-dimethylbut-2-enoate

Downstream raw materials:

2,3-dimethylbutanol

(2R)-2,3-Dimethylbutanoic acid

(R)-N-phenyl-2,3-dimethylbutanamide

2,3-dimethylbutyryl chloride

Refernces

• 1、 di Maio,Romeo. "-". . p. 1627,1631. Retrieved 1959.
• 2、 Kikuchi,Kadota,Matsuda,Suehara. "Studies on the constituents of orchidaceous plants. V. Isolation, structure, and C-13 signal assignments of novel methylsterols from Nervilia purpurea SCHLECHTER". . p. 3183 - 3201. Retrieved 1986.
• 3、 Radhoff, Niklas,Studer, Armido. "Functionalization of α-C(sp3)?H Bonds in Amides Using Radical Translocating Arylating Groups". supporting information. p. 3561 - 3565. Retrieved 2021/01/04.
• 4、 Hu, Jiantao,Lan, Tianlong,Sun, Yihua,Chen, Hui,Yao, Jiannian,Rao, Yu. "Unactivated C(sp3)-H hydroxylation through palladium catalysis with H2O as the oxygen source". supporting information. p. 14929 - 14932. Retrieved 2015/10/06.