4-tert-Butyl-2-chlorophenol

Base Information

• Chemical Name: 4-tert-Butyl-2-chlorophenol
• CAS No.: 98-28-2
• Molecular Formula: C10H13 Cl O
• Molecular Weight: 184.666
• Hs Code.: 2908199090
• European Community (EC) Number: 202-652-3
• NSC Number: 8464
• UNII: XAP5L8U19Y
• DSSTox Substance ID: DTXSID0059164
• Nikkaji Number: J99.463D
• Wikidata: Q27894515
• Mol file: 98-28-2.mol

Synonyms:4-tert-Butyl-2-chlorophenol;98-28-2;2-Chloro-4-tert-butylphenol;4-(tert-butyl)-2-chlorophenol;Phenol, 2-chloro-4-(1,1-dimethylethyl)-;Phenol, 4-tert-butyl-2-chloro-;XAP5L8U19Y;NSC 8464;NSC-8464;EINECS 202-652-3;AI3-00060;NSC8464;2-chloro-4-t-butylphenol;4-t-butyl-2-chlorophenol;UNII-XAP5L8U19Y;4-tert-butyl-2-chlorphenol;SCHEMBL397418;4-tert.-butyl-2-chlorophenol;Phenol, 2-chloro, 4-t-butyl;4-tert.-butyl-2-chloro-phenol;DTXSID0059164;PRLINSMUYJWPBL-UHFFFAOYSA-;AMY28531;MFCD00019992;4-TERT-BUTYL-2-CHLORO-PHENOL;AKOS005288311;2-chloro-4-(1,1-dimethylethyl)phenol;BS-48735;CS-0144872;E81808;EN300-843566;A928166;Q27894515

Chemical Property of 4-tert-Butyl-2-chlorophenol

Chemical Property:

• Vapor Pressure: 0.0271mmHg at 25°C
• Boiling Point: 238.7°Cat760mmHg
• PKA: 8.71±0.18(Predicted)
• Flash Point: 98.2°C
• PSA: 20.23000
• Density: 1.109g/cm³
• LogP: 3.34310
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.0654927
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98% ^*data from raw suppliers

4-tert-Butyl-2-chlorophenol(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-41-37/38-22
• Safety Statements: 36/37-45-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)O)Cl
• Uses: 4-tert-Butyl-2-chlorophenol is a colorless liquid that used in organic synthesis.

Technology Process of 4-tert-Butyl-2-chlorophenol

There total 15 articles about 4-tert-Butyl-2-chlorophenol 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: 95.0%

para-tert-butylphenol (98-54-4) → 2-chloro-4-tert-butylphenol (98-28-2)

Guidance literature:

With methanol; sulfuryl dichloride; In dichloromethane; Ambient temperature;

DOI:10.1021/jo00335a033

Reference yield:

2,4-di-tert-Butylphenol (96-76-4) → 2-chloro-4-tert-butylphenol (98-28-2) + 2-chloro-4,6-di-tert-butylphenol (4166-86-3)

Guidance literature:

With copper dichloride; In acetic acid; at 80 ℃; for 6h;

DOI:10.1016/j.mcat.2019.110460

Reference yield:

2,4-di-tert-Butylphenol (96-76-4) → para-tert-butylphenol (98-54-4) + 2-chloro-4-tert-butylphenol (98-28-2) + 2-chloro-4,6-di-tert-butylphenol (4166-86-3)

Guidance literature:

With copper dichloride; In formic acid; at 80 ℃; for 6h;

DOI:10.1016/j.mcat.2019.110460

upstream raw materials:

2,4,4-trimethyl-1-pentene

2-monochlorophenol

N-chloroacetamide

para-tert-butylphenol

Downstream raw materials:

4-tert-butyl-2-chloro-6-piperidinomethyl-phenol

4-tert-butyl-2-chloro-6-morpholinomethyl-phenol

1,4-bis-(5-tert-butyl-3-chloro-2-hydroxy-benzyl)-piperazine

4-tert-butyl-2-chloro-6-(3,3-dichloro-2-methyl-allyl)-phenol

Refernces

• 1、 Su, Peigen,Fan, Chao,Yu, Heng,Wang, Wanqin,Jia, Xin,Rao, Qifan,Fu, Chenxi,Zhang, Donghua,Huang, Benhua,Pan, Cheng,Zheng, Aqun,Sun, Yang. "Synthesis of Ti-Al binary oxides and their catalytic application for C-H halogenation of phenols, aldehydes and ketones". . . Retrieved 2019/06/13.
• 2、 Thorat, Prerana B.,Bhong, Bhagyashree Y.,Karade, Nandkishor Y.. "2,4,6-Tris[(4-dichloroiodo)phenoxy)]-1,3,5-triazine as a new recyclable hypervalent iodine(III) reagent for chlorination and oxidation reactions". supporting information. p. 2061 - 2066. Retrieved 2013/10/21.