Benzamide, 4-(1-methylethyl)-

Base Information

• Chemical Name: Benzamide, 4-(1-methylethyl)-
• CAS No.: 619-76-1
• Molecular Formula: C10H13 N O
• Molecular Weight: 163.219
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90210934
• Nikkaji Number: J126.577F
• Wikidata: Q83085765
• ChEMBL ID: CHEMBL3247925
• Mol file: 619-76-1.mol

Synonyms:619-76-1;Benzamide, 4-(1-methylethyl)-;4-propan-2-ylbenzamide;4-Isopropylbenzamide;4-(1-Methylethyl)benzamide;BENZAMIDE, 4-(1-METHYLETHYL)- (9CI);4-(propan-2-yl)benzamide;Benzamide,4-(1-methylethyl)-;4-Cumenecarboxamide;4-isopropyl benzamide;4-Isopropyl-benzamide;4-Isopropylbenzamide #;SCHEMBL84429;CHEMBL3247925;DTXSID90210934;MFCD09418499;STL067487;Benzamide,4-(1-methylethyl)-(9ci);AKOS000503293;NCGC00326059-01;TS-02179;CS-0273820;AB01321371-02;Z33546608

Chemical Property of Benzamide, 4-(1-methylethyl)-

Chemical Property:

• Vapor Pressure: 0.00344mmHg at 25°C
• Melting Point: 153 °C
• Boiling Point: 282.1°C at 760 mmHg
• PKA: 16.19±0.50(Predicted)
• Flash Point: 124.4°C
• PSA: 43.09000
• Density: 1.031g/cm³
• LogP: 2.60920
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

98%min ^*data from raw suppliers

4-Isopropyl-benzamide 95%+ ^*data from reagent 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)N

Technology Process of Benzamide, 4-(1-methylethyl)-

There total 21 articles about Benzamide, 4-(1-methylethyl)- 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: 96.0%

(4-isopropylbenzaldehyde) (122-03-2) → 4-isopropylbenzamide (619-76-1)

Guidance literature:

With hydroxylamine hydrochloride; caesium carbonate; In tetrahydrofuran; water; at 0 - 250 ℃; for 0.0833333h; under 150015 Torr;

DOI:10.1002/ejoc.201403280

Reference yield: 93.0%

4-isopropylbenzaldehyde oxime (3717-17-7,3717-18-8,13372-80-0) → 4-isopropylbenzamide (619-76-1)

Guidance literature:

With Cu(II) complex on SiO₂-coated Fe₃O₄ nanoparticles; at 80 ℃; for 1h; Green chemistry;

DOI:10.1002/aoc.4344

Reference yield: 91.0%

α-bromomethyl 4-isopropylphenyl ketone (51012-62-5) → 4-isopropylbenzamide (619-76-1)

Guidance literature:

With ammonia; iodine; In water; acetonitrile; at 60 ℃; for 5h;

DOI:10.1002/ejoc.201800730

upstream raw materials:

Isopropylbenzene

carbamic chloride

p-isopropylbenzoic acid

potassium thioacyanate

Downstream raw materials:

methyl 2-[2-(4-isopropylphenyl)-5-methyloxazol-4-yl]acetate

p-Cyanocumen

Refernces

• 1、 -. "Method for preparing derivatives of benzamide under microwave condition in aqueous phase". Paragraph 0018; 0095. . Retrieved 2019/03/28.
• 2、 Yamamoto, Takahiro,Togo, Hideo. "One-Pot Preparation of Aromatic Amides, 4-Arylthiazoles, and 4-Arylimidazoles from Arenes". . p. 4187 - 4196. Retrieved 2018/08/21.