2-Phenylpent-4-enoic acid

Base Information

• Chemical Name: 2-Phenylpent-4-enoic acid
• CAS No.: 94086-47-2
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.215
• European Community (EC) Number: 301-835-6
• NSC Number: 400159
• DSSTox Substance ID: DTXSID70862697
• Nikkaji Number: J913.440I
• Wikidata: Q107844714
• ChEMBL ID: CHEMBL1969027
• Mol file: 94086-47-2.mol

Synonyms:2-Phenylpent-4-enoic acid;94086-47-2;1575-70-8;NSC400159;Benzeneacetic acid, alpha-2-propen-1-yl-;2-phenyl-4-pentenoic acid;EINECS 301-835-6;Benzeneacetic acid, alpha-2-propenyl-;2-phenylpent-4-enoicacid;NSC-400159;Benzeneacetic acid, ?-2-propenyl-;Allylphenylessigsaure;SCHEMBL666893;CHEMBL1969027;DTXSID70862697;AKOS017531437;NSC 400159;Benzeneacetic acid, .alpha.-2-propenyl-;Benzeneacetic acid, |A-2-propen-1-yl-;NCI60_003727;EN300-152224

Chemical Property of 2-Phenylpent-4-enoic acid

Chemical Property:

• Vapor Pressure: 0.00107mmHg at 25°C
• Boiling Point: 288.7°Cat760mmHg
• Flash Point: 185.8°C
• Density: 1.086g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

2-phenylpent-4-enoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Phenylpent-4-enoic acid

There total 26 articles about 2-Phenylpent-4-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: 91.0%

(S)‐4‐benzyl‐3‐[(S)‐2‐phenylpent‐4‐enoyl]oxazolidin‐2‐one (265656-11-9) → (S)-2-phenyl-4-pentenoic acid (1575-70-8,21490-59-5,94086-47-2,110658-35-0)

Guidance literature:

With lithium hydroxide; dihydrogen peroxide; In tetrahydrofuran; at 0 - 20 ℃; for 5h;

DOI:10.1055/s-2002-35608

Reference yield: 72.0%

(S)-1-((2R,5R)-2,5-Bis-methoxymethoxymethyl-pyrrolidin-1-yl)-2-phenyl-pent-4-en-1-one (374590-15-5) → (S)-2-phenyl-4-pentenoic acid (1575-70-8,21490-59-5,94086-47-2,110658-35-0)

Guidance literature:

With hydrogenchloride; for 3h; Heating;

DOI:10.1016/S0040-4039(01)01260-6

Reference yield: 49.0%

2-phenylpent-4-enenitrile (5558-87-2) → (S)-2-phenyl-4-pentenoic acid (1575-70-8,21490-59-5,94086-47-2,110658-35-0) + (R)-(-)-2-phenyl-4-pentenamide

Guidance literature:

With Rhodococcus sp. AJ₂₇₀; In phosphate buffer; at 30 ℃; for 69h; pH=7.0;

DOI:10.1016/S0957-4166(02)00470-6

upstream raw materials:

2-phenyl-pent-4-enoic acid

(S)-1-((2R,5R)-2,5-Bis-methoxymethoxymethyl-pyrrolidin-1-yl)-2-phenyl-pent-4-en-1-one

(S)‐4‐benzyl‐3‐[(S)‐2‐phenylpent‐4‐enoyl]oxazolidin‐2‐one

2-phenylpent-4-enenitrile

Downstream raw materials:

(S)-(+)-2-phenylvaleric acid

(S)-2-phenylpent-4-enoyl chloride

(S)-2-phenyl-4-penteneamide

(2S,4S)-2-(2-Benzyloxy-ethyl)-1-((2S,5S)-2,5-bis-methoxymethoxymethyl-pyrrolidin-1-yl)-4-phenyl-hept-6-ene-1,3-dione