2-(Chloromethyl)-1,3-benzoxazole

Base Information

• Chemical Name: 2-(Chloromethyl)-1,3-benzoxazole
• CAS No.: 41014-43-1
• Molecular Formula: C8H6ClNO
• Molecular Weight: 167.595
• Hs Code.: 2934999090
• European Community (EC) Number: 840-983-0
• DSSTox Substance ID: DTXSID30366207
• Nikkaji Number: J1.299.604G
• Wikidata: Q72453776
• Mol file: 41014-43-1.mol

Synonyms:2-(chloromethyl)-1,3-benzoxazole;41014-43-1;2-(Chloromethyl)benzo[d]oxazole;Benzoxazole, 2-(chloromethyl)-;2-(chloromethyl)benzoxazole;2-CHLOROMETHYL-BENZOOXAZOLE;2-chloromethylbenzoxazole;CHLOROMETHYLBENZOXAZOLE;2-(chlormethyl)-1,3-benzoxazole;chloromethyl-benzoxazole;2-chloromethyl benzoxazole;2-(chloromethyl) benzoxazole;SCHEMBL622536;DTXSID30366207;MFCD05664964;AKOS001122159;AB22415;CS-W005128;AM20040431;FT-0650858;EN300-12581;2-(chloromethyl)-1,3-benzoxazole, AldrichCPR;A825392;12Y-0817;J-506315;F1499-0015

Chemical Property of 2-(Chloromethyl)-1,3-benzoxazole

Chemical Property:

• Vapor Pressure: 0.0644mmHg at 25°C
• Refractive Index: 1.612
• Boiling Point: 238.7 °C at 760 mmHg
• PKA: 0.95±0.10(Predicted)
• Flash Point: 98.2 °C
• PSA: 26.03000
• Density: 1.316 g/cm³
• LogP: 2.56660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 167.0137915
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

2-(Chloromethyl)-1,3-benzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)CCl

Technology Process of 2-(Chloromethyl)-1,3-benzoxazole

There total 10 articles about 2-(Chloromethyl)-1,3-benzoxazole 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: 99.5%

ethyl chloroacetimidate hydrochloride (36743-66-5) + 2-amino-phenol (95-55-6) → 2-(chloromethyl)benzoxazole (41014-43-1)

Guidance literature:

In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2011.01.075

Reference yield: 90.2%

chloroacetyl chloride (79-04-9) + 2-amino-phenol (95-55-6) → 2-(chloromethyl)benzoxazole (41014-43-1)

Guidance literature:

chloroacetyl chloride; 2-amino-phenol; With pyridine; In chlorobenzene; at 20 ℃; for 2h;

With toluene-4-sulfonic acid; In chlorobenzene; for 8h; Reflux;

DOI:10.3390/molecules22111925

Reference yield: 85.0%

2-chloro-1,1,1-triethoxyethane (51076-95-0) + 2-amino-phenol (95-55-6) → 2-(chloromethyl)benzoxazole (41014-43-1)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol301472a

upstream raw materials:

ethyl chloroacetimidate hydrochloride

2-amino-phenol

methyl 2-chloroacetimidate hydrochloride

N-(2-hydroxyphenyl)-2-chloroacetamide

Downstream raw materials:

2-(3-Nitro-phenoxymethyl)-benzooxazole

3-{[(benzoxazol-2-yl)methyl]amino}-5-ethyl-6-methyl-2-(1H)-pyridinone

5-[4-(Benzooxazol-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione

N-[3-[(2-benzoxazolyl)methoxy]phenyl]pyrrolidin-2-on-4-carboxylic acid, methyl ester