4-tert-Butylbenzoyl chloride

Base Information

• Chemical Name: 4-tert-Butylbenzoyl chloride
• CAS No.: 1710-98-1
• Molecular Formula: C11H13ClO
• Molecular Weight: 196.677
• Hs Code.: 29163900
• European Community (EC) Number: 216-973-1
• UNII: JP27WES49W
• DSSTox Substance ID: DTXSID0061903
• Nikkaji Number: J60.345G
• Wikidata: Q72514055
• Mol file: 1710-98-1.mol

Synonyms:4-tert-Butylbenzoyl chloride;1710-98-1;Benzoyl chloride, 4-(1,1-dimethylethyl)-;4-tert-Butylbenzoylchloride;p-tert-Butylbenzoyl chloride;4-Tert-ButYl-Benzoyl Chloride;p-t-butylbenzoyl chloride;4-tert-Butylbenzoic acid chloride;EINECS 216-973-1;4-(tert-butyl)benzoyl chloride;4-t-butylbenzoyl chloride;4-tertbutylbenzoyl chloride;4-t-butyl-benzoyl chloride;p-tert.butylbenzoyl chloride;JP27WES49W;4-(t-butyl)benzoyl chloride;SCHEMBL38841;p-tert.-butylbenzoyl chloride;4 -tert-butylbenzoyl chloride;4-tert-butyl benzoyl chloride;4-t-Butylbenzoic acid chloride;DTXSID0061903;4-(Tert-butyl)-benzoyl chloride;4-Tert-butylphenylcarbonyl chloride;4-tert.-butylbenzoic acid chloride;4-tert-Butylbenzoyl chloride, 98%;MFCD00000695;AKOS009158780;4-(1,1-dimethylethyl)benzoyl chloride;AS-47809;FT-0619500;EN300-742036;F16213;W-107877;4-tert-Butylbenzoyl chloride, purum, >=98.0% (T);F2190-0044

Chemical Property of 4-tert-Butylbenzoyl chloride

Chemical Property:

• Appearance/Colour: Clear colourless to very slightly yellow liquid
• Vapor Pressure: 0.0371mmHg at 25°C
• Refractive Index: n20/D 1.536(lit.)
• Boiling Point: 250.3 °C at 760 mmHg
• Flash Point: 111.6 °C
• PSA: 17.07000
• Density: 1.077 g/cm³
• LogP: 3.36310
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.0654927
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-tert-Butylbenzoyl chloride 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-37
• Safety Statements: 26-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)Cl
• Uses: 4-tert-Butylbenzoyl chloride is used as a reactant in the preparation of multi-branched structures based on triphenylamine for enhanced two-photon absorption.

Technology Process of 4-tert-Butylbenzoyl chloride

There total 9 articles about 4-tert-Butylbenzoyl chloride 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%

4-(1,1-dimethylethyl)benzoic acid (98-73-7) → p-tert-butyl benzoyl chloride (1710-98-1)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 2h; Reflux;

DOI:10.1039/c4ob00744a

Reference yield: 58.0%

methyl 4-tert-butylbenzoate (26537-19-9) → p-tert-butyl benzoyl chloride (1710-98-1)

Guidance literature:

With iodine; phosphorus trichloride; at 160 ℃; for 48h; Time; Schlenk technique; Sealed tube;

DOI:10.1002/ejoc.202100630

Reference yield: 58.0%

→ p-tert-butyl benzoyl chloride (1710-98-1)

Guidance literature:

In tetrahydrofuran;

upstream raw materials:

4-(1,1-dimethylethyl)benzoic acid

4'-t-butylacetophenone

1-bromo-4-tert-butylbenzene

p-tert-butylbenzyl alcohol

Downstream raw materials:

1-[4-(tert-butyl)phenyl]-2-diazoethanone

2-(N-piperidinylethyl) p-tert-butylbenzoate

4-tert-butyl-benzoic acid-(1-phenyl-2-piperidino-ethyl ester); hydrochloride

4-tert-Butyl-N-[4-(4-chloro-phenylamino)-9,10-dioxo-9,10-dihydro-anthracen-1-yl]-benzamide

Refernces

• 1、 Fayed, Bahgat,Haider, Mohamed,Hamdy, Rania,Hamoda, Alshaimaa M.,Rawas-Qalaji, Mutasem,Soliman, Sameh S. M.. "Essential oil-based design and development of novel anti-Candida azoles formulation". . . Retrieved 2020.
• 2、 Li, Xiao,Yu, Xiao-Ting,Chi, Hai-Jun,Dong, Yan,Xiao, Guo-Yong,Lei, Peng,Zhang, Dong-Yu,Cui, Zheng. "Synthesis, photophysical, electrochemical and electroluminescent properties of a novel iridium(III) complex based on 2-phenylbenzo[d]oxazole derivative". . p. 473 - 477. Retrieved 2013.
• 3、 Gordhan, Heeren M.,Milanes, Jillian E.,Qiu, Yijian,Golden, Jennifer E.,Christensen, Kenneth A.,Morris, James C.,Whitehead, Daniel C.. "A targeted delivery strategy for the development of potent trypanocides". . p. 8735 - 8738. Retrieved 2017.
• 4、 Acar, Cemre,Yal??n, Gozde,Ertan-Bolelli, Tu?ba,Kaynak Onurda?, Fatma,?kten, Suzan,?ener, Funda,Y?ld?z, ?lkay. "Synthesis and molecular docking studies of some novel antimicrobial benzamides". . . Retrieved 2019/11/19.