Butylphenylpropionic acid

Base Information

• Chemical Name: Butylphenylpropionic acid
• CAS No.: 2955-41-1
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• DSSTox Substance ID: DTXSID301297273
• Nikkaji Number: J1.304.559C
• Mol file: 2955-41-1.mol

Synonyms:butylphenylpropionic acid;2955-41-1;2-methyl-2-phenylhexanoic acid;SCHEMBL4007554;YHEYEPDRELFHFM-UHFFFAOYSA-N;DTXSID301297273

Chemical Property of Butylphenylpropionic acid

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C)(C1=CC=CC=C1)C(=O)O

Technology Process of Butylphenylpropionic acid

There total 12 articles about Butylphenylpropionic 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: 99.0%

benzyl (4E)-2-methyl-2-phenylhex-4-enoate (847444-10-4) → (+/-)-2-methyl-2-phenyl-hexanoic acid (2955-41-1)

Guidance literature:

With hydrogen; palladium on activated carbon; In ethyl acetate; for 72h;

Reference yield:

(+/-)-2-methyl-2-phenyl-hexanoic acid (2955-41-1) → (+)-2-methyl-2-phenyl-hexanoic acid-(1) (2955-41-1,60366-05-4)

Guidance literature:

With Quinine;

DOI:10.1021/ja01349a032 DOI:10.1021/ja01851a047

Reference yield:

methyl-(1-methyl-1-phenyl-pentyl)-ether (859185-11-8) → (+/-)-2-methyl-2-phenyl-hexanoic acid (2955-41-1)

Guidance literature:

With sodium-potassium alloy; diethyl ether; Behandeln des Reaktionsprodukts mit Kohlendioxid;

DOI:10.1021/ja01349a032

upstream raw materials:

methyl-(1-methyl-1-phenyl-pentyl)-ether

benzene

2-phenylhexan-2-ol

acetophenone

Downstream raw materials:

(+)-2-methyl-2-phenyl-hexanoic acid-⁽¹⁾

2-methyl-2-phenyl-hexanoyl chloride

2-methyl-1,2-diphenyl-hexan-1-one

1-diazo-3-methyl-3-phenyl-heptanone-⁽²⁾