3,6-Bis(chloromethyl)durene

Base Information

• Chemical Name: 3,6-Bis(chloromethyl)durene
• CAS No.: 3022-16-0
• Molecular Formula: C12H16 Cl2
• Molecular Weight: 231.165
• Hs Code.: 2903999090
• European Community (EC) Number: 221-173-0
• NSC Number: 93952
• DSSTox Substance ID: DTXSID7062792
• Nikkaji Number: J205.326H
• Wikidata: Q81990271
• Mol file: 3022-16-0.mol

Synonyms:3,6-Bis(chloromethyl)durene;3022-16-0;1,4-Bis(chloromethyl)-2,3,5,6-tetramethylbenzene;Bis(chloromethyl)durene;1,4-Bis(chloromethyl)durene;NSC 93952;2,3,5,6-Tetramethyl-p-dichloroxylylene;Benzene, 1,4-bis(chloromethyl)-2,3,5,6-tetramethyl-;3,6-Bis-(chloromethyl)-durene;1,2,4,5-Tetramethyl-3,6-bis(chloromethyl)benzene;EINECS 221-173-0;3,6-bis-(Chloromethyl)durene;NSC93952;C12H16Cl2;SCHEMBL4445015;DTXSID7062792;PGFAKOSRZYDFLR-UHFFFAOYSA-;MFCD00018883;NSC-93952;2,5,6-Tetramethyl-p-dichloroxylylene;AKOS004907535;2,3,5,6-Tetramethyl-p-dichloroxylene;1,4-Bis(chloromethyl)tetramethylbenzene;2,3,5,6-Tetramethyl-p-xylylene dichloride;B1783;FT-0634607;D88859;1,4,5-Tetramethyl-3,6-bis(chloromethyl)benzene;Benzene,4-bis(chloromethyl)-2,3,5,6-tetramethyl-;1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene (en);1,4-BIS-CHLOROMETHYL-2,3,5,6-TETRAMETHYL-BENZENE

Chemical Property of 3,6-Bis(chloromethyl)durene

Chemical Property:

• Vapor Pressure: 0.000282mmHg at 25°C
• Melting Point: 196oC
• Boiling Point: 332.4°Cat760mmHg
• Flash Point: 167.7°C
• PSA: 0.00000
• Density: 1.101g/cm³
• LogP: 4.39780
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 230.0629059
• Heavy Atom Count: 14
• Complexity: 145

Purity/Quality:

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

3,6-Bis(chloromethyl)durene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 36/37/39-45-28-27-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1CCl)C)C)CCl)C

Technology Process of 3,6-Bis(chloromethyl)durene

There total 6 articles about 3,6-Bis(chloromethyl)durene 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%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,2,4,5-tetramethylbenzene (95-93-2) → 1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene (3022-16-0)

Guidance literature:

formaldehyd; 1,2,4,5-tetramethylbenzene; With hydrogenchloride; sodium chloride; In water; at 120 ℃; for 5h;

With zinc(II) chloride; In water; for 24h; Reflux;

DOI:10.1039/c2dt32447d

Reference yield: 26.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-(chloromethyl)-1,2,4,5-tetramethylbenzene (7435-83-8) → 1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene (3022-16-0)

Guidance literature:

With hydrogenchloride; In water; at 90 ℃; for 12h;

DOI:10.1021/ja971287b

Reference yield:

1,2,4,5-tetramethylbenzene (95-93-2) → 3-(chloromethyl)-1,2,4,5-tetramethylbenzene (7435-83-8) + 1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene (3022-16-0)

Guidance literature:

With hydrogenchloride; formaldehyd; acetic acid;

DOI:10.1021/ja01161a096

upstream raw materials:

1,2,4,5-tetramethylbenzene

ethyl chloromethyl ether

formaldehyd

3-(chloromethyl)-1,2,4,5-tetramethylbenzene

Downstream raw materials:

1,4-bis-tert-butylperoxymethyl-2,3,5,6-tetramethyl-benzene

1,4-dineopentyltetramethylbenzene

1,2,4,5-Tetramethyl-3,6-bis-nitrooxymethyl-benzene

2,3,4,5,6-Pentakis-chlormethyl-toluol

Refernces

• 1、 Xu, Yan,Vermeulen, Nicolaas A.,Liu, Yangyang,Hupp, Joseph T.,Farha, Omar K.. "SALE-Ing a MOF-Based “Ship of Theseus.” Sequential Building-Block Replacement for Complete Reformulation of a Pillared-Paddlewheel Metal-Organic Framework". supporting information. p. 4345 - 4348. Retrieved 2016/10/04.
• 2、 Olah, George A.,Shamma, Tatyana,Burrichter, Arwed,Rasul, Golam,Prakash, G. K. Surya. "Preparation, 13C NMR/DFT/IGLO study of benzylic mono- and dications, and attempted preparation of a trication". . p. 12923 - 12928. Retrieved 2007/10/03.