2-methylhex-5-enoic Acid

Base Information

• Chemical Name: 2-methylhex-5-enoic Acid
• CAS No.: 77290-89-2
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.171
• DSSTox Substance ID: DTXSID101312904
• Nikkaji Number: J1.014.814F

Synonyms:2-methylhex-5-enoic Acid;77290-89-2;2-methyl-5-hexenoic acid;2-methylhex-5-enoicAcid;SCHEMBL2234252;DTXSID101312904;AKOS006379376;F2147-8850

Chemical Property of 2-methylhex-5-enoic Acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC=C)C(=O)O

Technology Process of 2-methylhex-5-enoic Acid

There total 2 articles about 2-methylhex-5-enoic 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:

3-chloro-benzenecarboperoxoic acid (937-14-4) + cis-2-methyl-5-trimethylstannylcyclohexanone → α-methyl-5-hexenoic acid (77290-89-2) + bis(trimethyltin)oxide (1692-18-8) + 3-chlorobenzoate (535-80-8)

Guidance literature:

In dichloromethane; sodium hydrogencarbonate; at 20 ℃; for 4h;

DOI:10.1039/a804427i

Reference yield:

1-hydroperoxy-2-methylcyclohexanol (15250-10-9) → (E)-hept-5-enoic acid (18776-90-4) + hept-6-enoic acid (1119-60-4) + α-methyl-5-hexenoic acid (77290-89-2)

Guidance literature:

With sulfuric acid; copper(II) sulfate; iron(II) sulfate;

DOI:10.1021/ja00893a014

Reference yield:

α-methyl-5-hexenoic acid (77290-89-2) → 2,6-methano-3a-methyl-6a-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopentafuran-3-one

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) LDA, 3.) methyl chloroformate

2: Rh(II) / CH₂Cl₂

With methyl chloroformate; lithium diisopropyl amide; rhodium⁽²⁺⁾; In dichloromethane;

DOI:10.1021/jo951576n

upstream raw materials:

1-hydroperoxy-2-methylcyclohexanol

3-chloro-benzenecarboperoxoic acid

Downstream raw materials:

2-methylhex-5-enoic acid [2-(3,4-dimethoxyphenyl)ethyl]amide

2-diazo-N-<2-(3,4-dimethoxyphenyl)ethyl>-N-(2-methylhex-5-enoyl)malonamic acid ethyl ester

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylhex-5-enoyl)malonamic acid ethyl ester

6-Allyl-6-methyl-cyclohex-2-enone

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