Phosphonic acid, [4-(1,1-dimethylethyl)phenyl]-

Base Information

• Chemical Name: Phosphonic acid, [4-(1,1-dimethylethyl)phenyl]-
• CAS No.: 100134-03-0
• Molecular Formula: C10H15O3P
• Molecular Weight: 214.201
• DSSTox Substance ID: DTXSID00395822
• Nikkaji Number: J282.333K
• Wikidata: Q82196125
• Mol file: 100134-03-0.mol

Synonyms:Phosphonic acid, [4-(1,1-dimethylethyl)phenyl]-;100134-03-0;(4-tert-butylphenyl)phosphonic Acid;SCHEMBL665714;4-tert-Butylphenylphosphonic acid;DTXSID00395822

Chemical Property of Phosphonic acid, [4-(1,1-dimethylethyl)phenyl]-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.07588133
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phosphonic acid, [4-(1,1-dimethylethyl)phenyl]-

There total 7 articles about Phosphonic acid, [4-(1,1-dimethylethyl)phenyl]- 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%

diethyl (p-(tert-butyl)phenyl)phosphonate (72596-31-7) → 4-tert-butylphenyl phosphonic acid (100134-03-0)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1055/s-1990-26813

Reference yield: 49.0%

4-tert.-Butylphenyl-phosphorige Saeure-dichlorid (13172-88-8) → 4-tert-butylphenyl phosphonic acid (100134-03-0)

Guidance literature:

With water; silver nitrate; In acetonitrile; at 0 - 4 ℃; for 19h; Inert atmosphere;

DOI:10.1021/jacs.8b13435

Reference yield:

4-tert-Butylaniline (769-92-6) → 4-tert-butylphenyl phosphonic acid (100134-03-0)

Guidance literature:

With copper(I) bromide; phosphorus trichloride; Diazotization_.anschliessend mit H₂O;

DOI:10.1021/ja01641a039

upstream raw materials:

4-tert-Butylaniline

diethyl (p-(tert-butyl)phenyl)phosphonate

1-bromo-4-tert-butylbenzene

phosphorous acid

Downstream raw materials:

(4-tert-Butyl-phenyl)-phosphonic acid monohexyl ester

Refernces

• 1、 Arz, Marius I.,Annibale, Vincent T.,Kelly, Nicole L.,Hanna, John V.,Manners, Ian. "Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a PV-O Main Chain". . p. 2894 - 2899. Retrieved 2019/03/05.
• 2、 Yuan, Chengye,Feng, Hanzhen. "Studies on Organophosphorus Compounds XL. A One-Pot Procedure for the Mono-O-Alkylation of Phosphonic Acid: A Facile Synthesis of Alkyl Hydrogen p-Substituted Phenylphosphonates". . p. 140 - 141. Retrieved 2007/10/02.