3-(4-Isopropylphenyl)propionic acid

Base Information

• Chemical Name: 3-(4-Isopropylphenyl)propionic acid
• CAS No.: 58420-21-6
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 2916399090
• European Community (EC) Number: 822-077-7
• DSSTox Substance ID: DTXSID80396610
• Wikidata: Q82197412
• Mol file: 58420-21-6.mol

Synonyms:3-(4-Isopropylphenyl)propionic acid;58420-21-6;3-[4-(propan-2-yl)phenyl]propanoic acid;3-(4-propan-2-ylphenyl)propanoic Acid;3-(4-isopropylphenyl)propanoic acid;4-Isopropylbenzenepropanoic acid;Benzenepropanoic acid, 4-(1-methylethyl)-;SCHEMBL879572;4-isopropyldihydrocinnamic acid;DTXSID80396610;CSYAUJIRKNGPRT-UHFFFAOYSA-N;3-(4-Isopropylphenyl)propionicacid;MFCD01462077;STK397519;AKOS000206920;CS-0241952;FT-0640524;EN300-24213;F52866;3-(4-isopropylphenyl)propionic acid, AldrichCPR;A831873;F2167-9387;Z169914022

Chemical Property of 3-(4-Isopropylphenyl)propionic acid

Chemical Property:

• Vapor Pressure: 0.000257mmHg at 25°C
• Melting Point: 74-76°C
• Refractive Index: 1.524
• Boiling Point: 310.5°Cat760mmHg
• PKA: 4.69±0.10(Predicted)
• Flash Point: 207.6°C
• PSA: 37.30000
• Density: 1.047g/cm³
• LogP: 2.82720
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Isopropylphenyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)CCC(=O)O
• Uses: 3-(4-Isopropylphenyl)propionic Acid is a para substituted benzene with antiviral properties.Also, it is used in the synthesis of a cytotoxic natural ester sintenin and twenty eight analogs including nitrogen-containing heterocyclic indole groups.

Technology Process of 3-(4-Isopropylphenyl)propionic acid

There total 16 articles about 3-(4-Isopropylphenyl)propionic 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: 100.0%

(E)-4-isopropylcinnamic acid (3368-21-6,116373-36-5) → 3-(p-isopropylphenyl)propionic acid (58420-21-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 5h; under 1794.37 Torr;

DOI:10.1002/adsc.201500288

Reference yield: 99.0%

cycl-isopropylidene malonate (2033-24-1) + (4-isopropylbenzaldehyde) (122-03-2) → 3-(p-isopropylphenyl)propionic acid (58420-21-6)

Guidance literature:

cycl-isopropylidene malonate; (4-isopropylbenzaldehyde); With formic acid; triethylamine; In N,N-dimethyl-formamide; at 0 - 80 ℃; for 14h;

With hydrogenchloride; water; In N,N-dimethyl-formamide; pH=1 - 2;

Reference yield: 85.0%

cycl-isopropylidene malonate (2033-24-1) + formic acid (64-18-6) + (4-isopropylbenzaldehyde) (122-03-2) → 3-(p-isopropylphenyl)propionic acid (58420-21-6)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 2 - 80 ℃; for 13h;

upstream raw materials:

4-isopropylcinnamic acid

4-isopropyl-cinnamic acid ethyl ester

-essigsaeure

(4-isopropyl-benzyl)-malonic acid

Downstream raw materials:

6-isopropylindan-1-one

3-(4-carboxyphenyl)propionic acid

3-(4-isopropyl-phenyl)-propionyl chloride

1-cyclopentyl-3-(4-isopropyl-phenyl)-propan-1-one