2-Chlorotrityl chloride

Base Information

• Chemical Name: 2-Chlorotrityl chloride
• CAS No.: 42074-68-0
• Molecular Formula: C19H14Cl2
• Molecular Weight: 313.226
• Hs Code.: 2903999090
• European Community (EC) Number: 255-647-3,944-192-2
• UNII: GG3RF829XL
• DSSTox Substance ID: DTXSID60194914
• Nikkaji Number: J278.322C
• Wikidata: Q83067785
• Mol file: 42074-68-0.mol

Synonyms:2-chlorotrityl chloride

Chemical Property of 2-Chlorotrityl chloride

Chemical Property:

• Appearance/Colour: off-white to yellow or brown beads
• Vapor Pressure: 6.44E-07mmHg at 25°C
• Melting Point: 130-135 °C
• Refractive Index: 1.614
• Boiling Point: 421.3 °C at 760 mmHg
• Flash Point: 194.2 °C
• PSA: 0.00000
• Density: 1.222 g/cm³
• LogP: 5.87070
• Storage Temp.: 2-8°C
• Solubility.: Soluble in Chloroform, methanol and dichloromethane, insoluble in water
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 312.0472558
• Heavy Atom Count: 21
• Complexity: 298

Purity/Quality:

99%min ^*data from raw suppliers

2-Chlorotrityl chloride resin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-24/25-22

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)Cl
• Uses: 2-Chlorotrityl chloride is used as an intermediate of clotrimazole. It is also used in the preparation of modified trityl nucleosides as inhibitors of P. falciparum dUTPase. In addition, it serves as a protecting group reagent for carboxylic acids forming esters.

Technology Process of 2-Chlorotrityl chloride

There total 5 articles about 2-Chlorotrityl 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: 36.0%

2-chlorobenzotrichloride (2136-89-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-chlorotrityl chloride (42074-68-0)

Guidance literature:

With aluminium trichloride; for 14h; Heating;

DOI:10.1002/1521-4184(200204)335:4<159::AID-ARDP159>3.0.CO;2-K

Reference yield:

o-chlorotriphenylmethanol (66774-02-5) → 2-chlorotrityl chloride (42074-68-0)

Guidance literature:

With hydrogenchloride; calcium chloride; benzene;

Reference yield:

methyl chlorobenzoate (610-96-8) → 2-chlorotrityl chloride (42074-68-0)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: benzene; CaCl₂; HCl

With hydrogenchloride; diethyl ether; calcium chloride; benzene;

upstream raw materials:

o-chlorotriphenylmethanol

2-chlorobenzotrichloride

benzene

methyl chlorobenzoate

Downstream raw materials:

1-(2-chloro-phenyl)-1,1,2,2-tetraphenyl-ethane

5-butyl-1-[[2'-[[N-(2-chlorotrityl)]tetrazol-5-yl]biphenyl-4-yl]methyl]imidazole

Refernces

• 1、 -. "SURFACE ENHANCED RAMAN SPECTROSCOPY (SERS) COMPOUNDS AND METHODS OF THEIR PREPARATION". . . Retrieved 2012/06/01.
• 2、 -. "COMBINATORIAL ROSAMINE LIBRARY AND USES THEREOF". . . Retrieved 2008/12/05.