P-Hydroxycinnamic acid, benzoate

Base Information

• Chemical Name: P-Hydroxycinnamic acid, benzoate
• CAS No.: 75175-10-9
• Molecular Formula: C16H12 O4
• Molecular Weight: 268.269
• NSC Number: 3483
• Mol file: 75175-10-9.mol

Synonyms:P-HYDROXYCINNAMIC ACID, BENZOATE;NSC3483;75175-10-9;NSC-3483

Chemical Property of P-Hydroxycinnamic acid, benzoate

Chemical Property:

• Vapor Pressure: 2.64E-09mmHg at 25°C
• Boiling Point: 461.3°Cat760mmHg
• Flash Point: 174°C
• Density: 1.286g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 268.07355886
• Heavy Atom Count: 20
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=CC(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C\C(=O)O

Technology Process of P-Hydroxycinnamic acid, benzoate

There total 2 articles about P-Hydroxycinnamic acid, benzoate 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:

malonic acid (141-82-2) + 4-formylphenyl benzoate (5339-06-0) → 4-benzoyloxy-trans-cinnamic acid (75175-10-9)

Guidance literature:

With pyridine;

DOI:10.1021/ja01547a044

Reference yield:

p-Coumaric Acid (7400-08-0,50940-26-6) + benzoyl chloride (98-88-4) → 4-benzoyloxy-trans-cinnamic acid (75175-10-9)

Guidance literature:

With alkaline solution;

Reference yield: 88.0%

7,13-diacetyl-10-deacetylbaccatin III + 4-benzoyloxy-trans-cinnamic acid (75175-10-9) → C49H50O15

Guidance literature:

With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dichloromethane; at 25 ℃;

DOI:10.1021/jm049483y

upstream raw materials:

malonic acid

4-formylphenyl benzoate

p-Coumaric Acid

benzoyl chloride

Downstream raw materials:

4-benzoyloxy-trans-cinnamic acid amide

4-vinylphenyl benzoate

3-(4-vinylphenyloxy)-1-propene

[4-(1,2-dibromo-ethyl)-phenyl]-(2,3-dibromo-propyl)-ether