2,4,6-Triisopropylbenzyl Chloride

Base Information

• Chemical Name: 2,4,6-Triisopropylbenzyl Chloride
• CAS No.: 38580-86-8
• Molecular Formula: C16H25Cl
• Molecular Weight: 252.827
• Hs Code.: 2903999090
• European Community (EC) Number: 678-515-0
• DSSTox Substance ID: DTXSID70499846
• Nikkaji Number: J1.112.601D
• Mol file: 38580-86-8.mol

Synonyms:2,4,6-Triisopropylbenzyl Chloride;38580-86-8;2-(chloromethyl)-1,3,5-tri(propan-2-yl)benzene;2-(chloromethyl)-1,3,5-triisopropylbenzene;SCHEMBL4877230;DTXSID70499846;CQHQLMOCMQMZPP-UHFFFAOYSA-N;MFCD03701106;2-Chloromethyl-1,3,5-triisopropylbenzene;FT-0639480;T1989;2-(chloromethyl)-1,3,5-triisopropyl-benzene;D92559;A824199;2-(chloromethyl)-1,3,5-tris(propan-2-yl)benzene

Chemical Property of 2,4,6-Triisopropylbenzyl Chloride

Chemical Property:

• Vapor Pressure: 0.00384mmHg at 25°C
• Melting Point: 36oC
• Boiling Point: 289.4oC at 760 mmHg
• Flash Point: 125oC
• PSA: 0.00000
• Density: 0.945g/cm3
• LogP: 5.79560
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 252.1644785
• Heavy Atom Count: 17
• Complexity: 202

Purity/Quality:

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

2,4,6-Triisopropylbenzyl Chloride ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)CCl)C(C)C

Technology Process of 2,4,6-Triisopropylbenzyl Chloride

There total 7 articles about 2,4,6-Triisopropylbenzyl 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: 83.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3,5-triisopropyl benzene (717-74-8) → 2,4,6-triisopropylbenzyl chloride (38580-86-8)

Guidance literature:

With hydrogenchloride; In water; acetic acid; at 95 ℃; for 72h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.1c07370

Reference yield:

1,3,5-triisopropyl benzene (717-74-8) + chloromethyl methyl ether (107-30-2) → 2,4,6-triisopropylbenzyl chloride (38580-86-8)

Guidance literature:

With carbon disulfide; tin(IV) chloride; at 0 ℃;

DOI:10.1021/ja01253a009

Reference yield:

1,3,5-triisopropyl benzene (717-74-8) → 2,4,6-triisopropylbenzyl chloride (38580-86-8)

Guidance literature:

Multi-step reaction with 3 steps

2: LiAlH₄ / diethyl ether

3: thionyl chloride

With lithium aluminium tetrahydride; thionyl chloride; In diethyl ether;

upstream raw materials:

1,3,5-triisopropyl benzene

chloromethyl methyl ether

[2,4,6-tris(1-methylethyl)phenyl]methanol

carbon disulfide

Downstream raw materials:

Thiocyanatomethyl-2,4,6-tris-(isopropyl)-benzol

1-phenyl-2-[2,4,6-tris(1-methylethyl)phenyl]ethanone

α-(2,4,6-triisopropylphenyl)acetophenone-d2

2.4.6-Triisopropylbenzyldiethylphosphonat

Refernces

• 1、 Chandrasekhar, Vadapalli,Sasikumar, Palani,Senapati, Tapas,Dey, Atanu. "Dinuclear metal phosphonates and -phosphates". scheme or table. p. 2920 - 2928. Retrieved 2011/03/17.