2-Hydroxy-2,4-pentadienoic acid

Base Information

• Chemical Name: 2-Hydroxy-2,4-pentadienoic acid
• CAS No.: 50480-68-7
• Molecular Formula: C5H6 O3
• Molecular Weight: 114.101
• Hs Code.: 2918199090
• Nikkaji Number: J533.225G,J2.142.292D
• Wikidata: Q27104619
• Mol file: 50480-68-7.mol

Synonyms:2-hydroxy-2,4-pentadienoic acid;2-hydroxypent-2,4-dienoate

Chemical Property of 2-Hydroxy-2,4-pentadienoic acid

Chemical Property:

• Vapor Pressure: 4.53E-05mmHg at 25°C
• Boiling Point: 312.8°C at 760 mmHg
• Flash Point: 157.2°C
• PSA: 57.53000
• Density: 1.244g/cm³
• LogP: 0.69890
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 114.031694049
• Heavy Atom Count: 8
• Complexity: 135

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC=C(C(=O)O)O
• Isomeric SMILES: C=C/C=C(/C(=O)O)\O

Technology Process of 2-Hydroxy-2,4-pentadienoic acid

There total 6 articles about 2-Hydroxy-2,4-pentadienoic 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:

2-hydroxy-6-oxohexa-2,4-dienoic acid (3270-98-2) → formic acid (64-18-6) + 2-hydroxy-2,4-pentadienoic acid (50480-68-7)

Guidance literature:

With meta-cleavage product hydrolase MfphA from Dyella ginsengisoli LA-4; In aq. phosphate buffer; at 30 ℃; for 0.166667h; pH=7; Reagent/catalyst; pH-value; Temperature; Catalytic behavior; Enzymatic reaction;

DOI:10.1016/j.molcatb.2014.02.014

Reference yield:

methanol (67-56-1) + 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (54797-48-7,50480-67-6) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 2-hydroxy-2,4-pentadienoic acid (50480-68-7) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate 5,6-hydrolase; at 25 ℃; pH=7.5; Concentration; Kinetics; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1021/bi300663r

Reference yield:

propan-1-ol (71-23-8) + 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (54797-48-7,50480-67-6) → 2-hydroxy-2,4-pentadienoic acid (50480-68-7) + propyl benzoate (2315-68-6) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate 5,6-hydrolase; at 25 ℃; pH=7.5; Concentration; Kinetics; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1021/bi300663r

upstream raw materials:

2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid

methanol

propan-1-ol

ethanol

Refernces

• 1、 Qu, Yuanyuan,Wang, Jingwei,Zhang, Zhaojing,Shi, Shengnan,Li, Duanxing,Shen, Wenli,Shen,Zhou, Jiti. "Catalytic transformation of HODAs using an efficient meta-cleavage product hydrolase-spore surface display system". . p. 204 - 210. Retrieved 2014/04/03.
• 2、 Ruzzini, Antonio C.,Horsman, Geoff P.,Eltis, Lindsay D.. "The catalytic serine of meta-cleavage product hydrolases is activated differently for C-O bond cleavage than for C-C bond cleavage". experimental part. p. 5831 - 5840. Retrieved 2012/09/22.