Butyrate

Base Information

• Chemical Name: Butyrate
• CAS No.: 461-55-2
• Molecular Formula: C4H7O2-
• Molecular Weight: 87.0984
• DSSTox Substance ID: DTXSID8040432
• Nikkaji Number: J473.101H
• Wikidata: Q55582441
• Mol file: 461-55-2.mol

Synonyms:Acids, Butanoic;Acids, Butyric;Butanoic Acids;Butyrate;Butyrates;Butyric Acids;n Butyrate;n-Butyrate

Chemical Property of Butyrate

Chemical Property:

• Melting Point: -7.9oC
• Boiling Point: 164.3°Cat760mmHg
• Flash Point: 69.7°C
• PSA: 40.13000
• Density: g/cm³
• LogP: -0.46360
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 87.044604462
• Heavy Atom Count: 6
• Complexity: 44

Purity/Quality:

BUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)[O-]
• Recent ClinicalTrials: Effects of Administration of SCFA in Rheumatoid Arthritis Inadequate Responders

Technology Process of Butyrate

There total 16 articles about Butyrate 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: 44.0%

N-butylamine (109-73-9,85404-21-3) → butyrate (461-55-2) + dibutylamine (111-92-2) + butan-1-ol (71-36-3)

Guidance literature:

With carbonylchloro[4,5-bis(diisopropylphosphinomethyl)acridine]hydridoruthenium(II); water; In 1,4-dioxane; at 135 ℃; for 48h; Temperature; Reagent/catalyst; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201301000

Reference yield:

carbon dioxide (124-38-9,18923-20-1) → ethanol (64-17-5) + acetate (71-50-1) + butyrate (461-55-2) + butan-1-ol (71-36-3)

Guidance literature:

With Clostridium carboxidivorans/Clostridium ragsdalei; In aq. buffer; at 33.9 ℃; Electrochemical reaction;

DOI:10.1039/c4cc10121a

Reference yield:

butanoic acid ethyl ester (105-54-4) → ethanol (64-17-5) + butyrate (461-55-2)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 0.416667h; Thermodynamic data; ΔH;

DOI:10.1021/ja00020a036

upstream raw materials:

p-nitrophenyl butyrate

m-nitrophenyl butanoate

2-Pentanone

butanoic acid ethyl ester

Downstream raw materials:

acetate

propanoate

Isobutyrate

isopropylacetate

Refernces

• 1、 Bai, Lin-Ming,Zhou, Hang,Liu, Wei-Er,Chai, Hongxin,Yang, Liu-Pan,Yan, Wei,Zhang, Wen,Yang, Hong-Hui,Jiang, Wei. "Fluorescent monitoring of the reaction kinetics of nonfluorescent molecules enabled by a fluorescent receptor". supporting information. p. 3128 - 3131. Retrieved 2019/04/02.
• 2、 Hurtado, Marcela,Yanez, Manuel,Herrero, Rebeca,Guerrero, Andres,Juan Z. Davalos,Jose-Luis, M. Abboud,Khater, Brahim,Guillemin, Jean-Claude. "The Ever-surprising chemistry of boron: Enhanced acidity of phosphine·boranes". supporting information; experimental part. p. 4622 - 4629. Retrieved 2009/12/29.