4,4',4''-Trimethyltrityl alcohol

Base Information

• Chemical Name: 4,4',4''-Trimethyltrityl alcohol
• CAS No.: 3247-00-5
• Molecular Formula: C22H22 O
• Molecular Weight: 302.416
• Hs Code.: 2902909090
• European Community (EC) Number: 221-822-8
• NSC Number: 123489
• DSSTox Substance ID: DTXSID10186203
• Nikkaji Number: J262.353F
• ChEMBL ID: CHEMBL332492
• Mol file: 3247-00-5.mol

Synonyms:3247-00-5;4,4',4''-Trimethyltrityl alcohol;Tri-p-tolylmethanol;Tris(4-methylphenyl)methanol;Methanol, tri-p-tolyl-;Tri(p-tolyl)methanol;4,4'-Dimethyl-4''-methyltrityl alcohol;EINECS 221-822-8;Benzenemethanol, 4-methyl-.alpha.,.alpha.-bis(4-methylphenyl)-;trip-tolylmethanol;NSC123489;CHEMBL332492;SCHEMBL2494396;4,4''-Trimethyltriphenylmethanol;DTXSID10186203;4,4',4"-Trimethyltrityl alcohol;MFCD00014919;4,4',4''-Trimethyltriphenylmethanol;NSC 123489;NSC-123489;AS-57226;4,4',4''-Trimethyltrityl alcohol, 98+%;FT-0616980;Benzenemethanol,.alpha.-bis(4-methylphenyl)-;E85536;A821288

Chemical Property of 4,4',4''-Trimethyltrityl alcohol

Chemical Property:

• Melting Point: 94-96°C
• Boiling Point: 459.1°Cat760mmHg
• Flash Point: 173.5°C
• PSA: 20.23000
• Density: 1.083g/cm³
• LogP: 4.89600
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 302.167065321
• Heavy Atom Count: 23
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

4,4'-DIMETHYL-4''-METHYLTRITYL ALCOHOL 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)O

Technology Process of 4,4',4''-Trimethyltrityl alcohol

There total 30 articles about 4,4',4''-Trimethyltrityl alcohol 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: 99.0%

bis(p-methylphenyl)-methanone (611-97-2) + para-bromotoluene (106-38-7) → tris(4-methylphenyl)methanol (3247-00-5)

Guidance literature:

para-bromotoluene; With magnesium; ethylene dibromide; In tetrahydrofuran; at 36 - 60 ℃; Schlenk technique; Inert atmosphere;

bis(p-methylphenyl)-methanone; In tetrahydrofuran; at 0 - 25 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.chempr.2021.02.029

Reference yield: 73.0%

4-methylbenzoic acid ethyl ester (94-08-6) + para-bromotoluene (106-38-7) → tris(4-methylphenyl)methanol (3247-00-5)

Guidance literature:

para-bromotoluene; With magnesium; In tetrahydrofuran; Reflux;

4-methylbenzoic acid ethyl ester; In tetrahydrofuran; at 20 ℃; Reflux;

DOI:10.1002/chem.200902669

Reference yield: 59.0%

4-methyl-benzoic acid methyl ester (99-75-2) + para-bromotoluene (106-38-7) → tris(4-methylphenyl)methanol (3247-00-5)

Guidance literature:

para-bromotoluene; With iodine; magnesium; In diethyl ether; for 4h; Heating;

4-methyl-benzoic acid methyl ester; In diethyl ether; Heating;

DOI:10.1039/b509572g

upstream raw materials:

tri-p-tolylmethylchloride

tri-p-tolyl-acetic acid

bis(p-methylphenyl)-methanone

p-tolyllithium

Downstream raw materials:

tri-p-tolylmethane

tri-p-tolylmethylchloride

N,N-Dimethyl-2-tri-p-tolylmethoxy-acetamide

tri-p-tolyl-acetic acid

Refernces

• 1、 Kim,C.B.,Leffek,K.T.. "-". . p. 3408 - 3413. Retrieved 1975.
• 2、 Lutz, Marius D.R.,Gasser, Valentina C.M.,Morandi, Bill. "Shuttle arylation by Rh(I) catalyzed reversible carbon–carbon bond activation of unstrained alcohols". supporting information. p. 1108 - 1119. Retrieved 2021/04/19.
• 3、 -. "MELANIN PRODUCTION INHIBITOR". Paragraph 0258 - 0262. . Retrieved 2015/12/17.