4-(Prop-1-en-2-yl)benzoic acid

Base Information

• Chemical Name: 4-(Prop-1-en-2-yl)benzoic acid
• CAS No.: 1830-69-9
• Molecular Formula: C10H10 O2
• Molecular Weight: 162.188
• NSC Number: 126986
• DSSTox Substance ID: DTXSID80939667
• Nikkaji Number: J26.887I
• Wikidata: Q82916225
• Mol file: 1830-69-9.mol

Synonyms:4-(prop-1-en-2-yl)benzoic acid;1830-69-9;4-isopropenylbenzoic acid;NSC126986;SCHEMBL381410;4-(prop-1-en-2-yl)benzoicacid;DTXSID80939667;YUCOVHFIYPJDDN-UHFFFAOYSA-N;AKOS025296240;NSC-126986

Chemical Property of 4-(Prop-1-en-2-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 0.000624mmHg at 25°C
• Boiling Point: 297°C at 760 mmHg
• Flash Point: 137.5°C
• Density: 1.097g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Prop-1-en-2-yl)benzoic acid

There total 13 articles about 4-(Prop-1-en-2-yl)benzoic 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:

4-methylisopropylbenzene (99-87-6) + water (7732-18-5) → p-isopropylbenzoic acid (536-66-3) + 4-(prop-1-en-2-yl)benzoic acid (1830-69-9) + 4-(2-hydroxypropan-2-yl)benzoic acid (3609-50-5)

Guidance literature:

Belichtung mit Sonnenlicht;

Reference yield:

4-bromo-α-methylstyrene (6888-79-5) → 4-(prop-1-en-2-yl)benzoic acid (1830-69-9)

Guidance literature:

With 1-bromo-butane; diethyl ether; lithium; anschliessendes Behandeln mit CO₂;

DOI:10.1021/ja01521a023 DOI:10.1021/ja01149a016

Reference yield:

1-iodo-4-(prop-1-en-2-yl)benzene (561023-21-0) → 4-(prop-1-en-2-yl)benzoic acid (1830-69-9)

Guidance literature:

With carbon dioxide; ethylmagnesium bromide;

DOI:10.1021/ja01149a016

upstream raw materials:

4-bromo-α-methylstyrene

4-methylisopropylbenzene

1-iodo-4-(prop-1-en-2-yl)benzene

4-(2-hydroxypropan-2-yl)benzoic acid

Downstream raw materials:

4-(1-methylethenyl)benzoic acid methyl ester

(R)-N-(3-chloro-1-ethyl-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide

(R)-4-(1,2-dihydroxypropan-2-yl)-N-(1-ethyl-1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide

(R)-N-(3-bromo-1-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide