Butanoic acid, 3-methyl-2-methylene-

Base Information

• Chemical Name: Butanoic acid, 3-methyl-2-methylene-
• CAS No.: 4465-04-7
• Molecular Formula: C6H10O2
• Molecular Weight: 114.144
• Hs Code.: 2916190090
• European Community (EC) Number: 858-536-3
• DSSTox Substance ID: DTXSID80478006
• Nikkaji Number: J799.501F
• Wikidata: Q72485696
• Mol file: 4465-04-7.mol

Synonyms:Butanoic acid, 3-methyl-2-methylene-;4465-04-7;3-methyl-2-methylidenebutanoic acid;alpha-Isopropylacrylic acid;isopropyl-acrylic acid;SCHEMBL23313;3-Methyl-2-methylenebutyric acid;DTXSID80478006;MBRVKEJIEFZNST-UHFFFAOYSA-N;3-methyl-2-methylidenebutanoicacid;MFCD19228087;AKOS006376241;EN300-151289

Chemical Property of Butanoic acid, 3-methyl-2-methylene-

Chemical Property:

• Refractive Index: 1.4336
• Boiling Point: 195℃
• PKA: 4.49±0.11(Predicted)
• Flash Point: 101℃
• PSA: 37.30000
• Density: 0.971
• LogP: 1.28320
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

Butanoicacid,3-methyl-2-methylene- ^*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 Butanoic acid, 3-methyl-2-methylene-

There total 4 articles about Butanoic acid, 3-methyl-2-methylene- 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:

2,3-dibromo-2-methyl-valeric acid (854657-98-0) + water (7732-18-5) → 2-iso-propyl acrylic acid (4465-04-7) + 2,3-dihydroxy-2-methyl-valeric acid (597-02-4) + carbon dioxide (124-38-9,18923-20-1) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

at 100 ℃; im geschlossenen Rohr, Produkt 5:Methylpropylketon;

Reference yield:

2-methyl-2-pentenal (14250-96-5,16958-22-8,623-36-9) → 2-iso-propyl acrylic acid (4465-04-7) + acetic acid (64-19-7,77671-22-8) + 2-Pentanone (107-87-9) + propionic acid (802294-64-0,79-09-4)

Guidance literature:

Reference yield:

2-methyl-2-pentenal (14250-96-5,16958-22-8,623-36-9) → 2-iso-propyl acrylic acid (4465-04-7) + acetic acid (64-19-7,77671-22-8) + 2-Pentanone (107-87-9) + propionic acid (802294-64-0,79-09-4)

Guidance literature:

upstream raw materials:

2,3-dibromo-2-methyl-valeric acid

water

2-methyl-2-pentenal

Downstream raw materials:

1-Isopropyl-cyclohexen-⁽³⁾-1-carbonsaeure

3-methyl-butan-2-one

(2R)-2,3-Dimethylbutanoic acid

2-(1-benzyl-3-isopropyl-2-oxoindolin-3-yl)acetonitrile

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