2-Chloro-5-isocyanatopyridine

Base Information

• Chemical Name: 2-Chloro-5-isocyanatopyridine
• CAS No.: 125117-96-6
• Molecular Formula: C6H3 Cl N2 O
• Molecular Weight: 154.556
• Hs Code.: 2933399090
• European Community (EC) Number: 634-134-1
• DSSTox Substance ID: DTXSID40406906
• Nikkaji Number: J3.372.675I
• Mol file: 125117-96-6.mol

Synonyms:2-chloro-5-isocyanatopyridine;125117-96-6;2-chloro-5-Isocyanato-pyridine;Pyridine,2-chloro-5-isocyanato-;SCHEMBL1026501;6-Chloro-3-pyridinyl isocyanate;DTXSID40406906;WHENXACISRCOHK-UHFFFAOYSA-N;2-(Chloropyridin-5-yl) isocyanate;GEO-00694;MFCD07368563;2-Chloro-5-isocyanatopyridine, 99%;AKOS015891974;AB32043;AS-6275;(S)-2-tert-Butoxycarbonylamino-heptanoicacid;EN300-145200;J-005201

Chemical Property of 2-Chloro-5-isocyanatopyridine

Chemical Property:

• Vapor Pressure: 0.0497mmHg at 25°C
• Boiling Point: 76oC
• Flash Point: 96.3oC
• PSA: 42.32000
• Density: 1.32g/cm3
• LogP: 1.70230
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.9933904
• Heavy Atom Count: 10
• Complexity: 156

Purity/Quality:

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

2-Chloro-5-isocyanatopyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-42/43
• Safety Statements: 22-26-36/37

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=NC=C1N=C=O)Cl

Technology Process of 2-Chloro-5-isocyanatopyridine

There total 2 articles about 2-Chloro-5-isocyanatopyridine 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:

6-Chloro-3-pyridinecarboxylic acid (5326-23-8) → 6-chloropyridin-3-yl isocyanate (125117-96-6)

Guidance literature:

With diphenyl phosphoryl azide; triethylamine; In toluene; at 20 - 80 ℃; for 2.5h;

Reference yield:

6-chloro-nicotinoyl azide → 6-chloropyridin-3-yl isocyanate (125117-96-6)

Guidance literature:

In toluene; at 100 ℃; for 1.5h;

DOI:10.1021/jm050293c

Reference yield: 71.1%

6-chloropyridin-3-yl isocyanate (125117-96-6) + rac-(2S,3S,4S)-2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-4-(2,2-dimethylpropyl)pyrrolidine-3-carbonitrile → rac-(2S,3S,4S)-2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-4-(2,2-dimethylpropyl)pyrrolidine-1-carboxylic acid (6-chloropyridin-3-yl)amide

Guidance literature:

In dichloromethane; at 20 ℃; for 16h;

upstream raw materials:

6-Chloro-3-pyridinecarboxylic acid

Downstream raw materials:

C₁₅H₁₅ClN₄O₂

C₂₀H₁₇ClN₄O₂

1-(3-(2-amino-6-oxo-1,6-dihydropyrimidin-4-ylamino)-4-methylphenyl)-3-(6-chloropyridin-3-yl)urea

(6-chloropyridin-3-yl)-carbamic acid (S)-2,2,2-trifluoro-1-[3-(3-trifluoromethylphenyl)-piperidin-1-ylmethyl]-ethyl ester

Refernces

• 1、 -. "Oxindole derivatives". Page/Page column 41. . Retrieved 2008/06/13.