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(2-Chloropyridin-3-yl)acetonitrile is an organic compound that serves as a valuable reagent in the synthesis of various pharmaceutical compounds, particularly those with anti-tumor properties.

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  • 101012-32-2 Structure
  • Basic information

    1. Product Name: (2-Chloropyridin-3-yl)acetonitrile
    2. Synonyms: (2-Chloropyridin-3-yl)acetonitrile;2-Chloro-3-pyridineaceton...;(2-Chloropyridin-3-yl)acetonitrile 95+%;2-Chloro-3-(cyanomethyl)pyridine;2-(2-Chloropyridin-3-yl)acetonitrile;2-Chloro-3-pyridineacetonitrile;2-Chloropyridine-3-acetonitrile;3-Pyridineacetonitrile, 2-chloro-
    3. CAS NO:101012-32-2
    4. Molecular Formula: C7H5ClN2
    5. Molecular Weight: 152.58
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 101012-32-2.mol
    9. Article Data: 14
  • Chemical Properties

    1. Melting Point: 85-86 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
    2. Boiling Point: 294.1 °C at 760 mmHg
    3. Flash Point: 131.7 °C
    4. Appearance: /
    5. Density: 1.262 g/cm3
    6. Vapor Pressure: 0.00166mmHg at 25°C
    7. Refractive Index: 1.553
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: -0.43±0.10(Predicted)
    11. CAS DataBase Reference: (2-Chloropyridin-3-yl)acetonitrile(CAS DataBase Reference)
    12. NIST Chemistry Reference: (2-Chloropyridin-3-yl)acetonitrile(101012-32-2)
    13. EPA Substance Registry System: (2-Chloropyridin-3-yl)acetonitrile(101012-32-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 101012-32-2(Hazardous Substances Data)

101012-32-2 Usage

Uses

Used in Pharmaceutical Industry:
(2-Chloropyridin-3-yl)acetonitrile is used as a reagent for the preparation of spirocyclic oxindole analogs, which possess anti-tumor properties. These analogs are being explored for their potential in treating cancer and other related conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 101012-32-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,1,0,1 and 2 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 101012-32:
(8*1)+(7*0)+(6*1)+(5*0)+(4*1)+(3*2)+(2*3)+(1*2)=32
32 % 10 = 2
So 101012-32-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H5ClN2/c8-7-6(3-4-9)2-1-5-10-7/h1-2,5H,3H2

101012-32-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2-chloropyridin-3-yl)acetonitrile

1.2 Other means of identification

Product number -
Other names 3-PYRIDINEACETONITRILE,2-CHLORO

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:101012-32-2 SDS

101012-32-2Relevant articles and documents

Discovery of N-substituted 7-azaindoline derivatives as potent, orally available M1 and M4 muscarinic acetylcholine receptors selective agonists

Takai, Kentaro,Inoue, Yasunao,Konishi, Yasuko,Suwa, Atsushi,Uruno, Yoshiharu,Matsuda, Harumi,Nakako, Tomokazu,Sakai, Mutsuko,Nishikawa, Hiroyuki,Hashimoto, Gakuji,Enomoto, Takeshi,Kitamura, Atsushi,Uematsu, Yasuaki,Kiyoshi, Akihiko,Sumiyoshi, Takaaki

, p. 3189 - 3193 (2014)

We designed and synthesized novel N-substituted 7-azaindoline derivatives as selective M1 and M4 muscarinic acetylcholine receptors (mAChRs) agonists. Hybridization of compound 2 with the HTS hit compound 5 followed by optimization of the N-substituents of 7-azaindoline led to identification of compound 1, which showed highly selective M1 and M4 mAChRs agonistic activity, weak human ether-a-go-go related gene inhibition, and good bioavailability in multiple animal species.

A spirocyclic oxindole analogue: Synthesis and antitumor activities

Hong, Hui,Huang, Long Jiang,Teng, Da Wei

, p. 1009 - 1012 (2011)

A new synthesis of spirocyclic oxindole analogue spiro[piperidine-4, 3′-pyrrolo[2,3-b]pyridin]-2′(1′H)-one 1 is described. The key steps involve dialkylation of arylacetonitrile and cyclization of the azaoxindole ring by an intramolecular Buchwald-Hartwig amidation of carboxylic amide and aryl chloride. A small library was obtained by reductive amination of 1 with various aldehydes and was screened against human lung cancer cell A549, human liver cancer cell BEL7402, and human colon cancer cell HCT-8. The results show that most of the library compounds 2 have some inhibitory activities. 2-(Trifluoromethoxy) benzylic substituted spirocyclic azaoxindole 2e was identified as a nanomolar inhibitor against human lung cancer cell A-549 (IC50 = 50 nmol/L).

TOPICAL FORMULATIONS

-

, (2020/06/10)

Provided herein are gelled topical formulations for the treatment of skin diseases comprising: a) a MEK inhibitor; b) one or more organic solvents in an amount of about 70% to about 99% by weight; and c) a gelling agent; wherein the one or more organic solvents are selected from the group consisting of C2-6 alcohol, a C2-6 alkylene glycol, a di-(C2-6 alkylene) glycol, a polyethylene glycol, C1-3 alkyl-(OCH2CH2)1-5-OH, DMSO, ethyl acetate, acetone, N-methyl pyrrolidone, benzyl alcohol, glycerin, and an oil; the gelling agent is hydroxypropyl cellulose having a molecular weight ranging from about 40,000 Dato about 2,500,000 Da; and wherein the gelled topical formulation has a viscosity of from 1 to 25,000 cps; and DMSO, when present, is combined with at least one other of said organic solvents such that DMSO is present in an amount of less than 50% by weight.

ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS

-

, (2020/06/10)

Provided herein are compounds and pharmaceutical compositions thereof for treating a skin cancer in a subject in need thereof, wherein the compound is according to any one of formula (I), (II), (III), (IV), and (V): wherein X1, X2, X3, R1, R2, R2a, R13, Rl3a, R23, R23a, R23b, R33, R33a, R33b, R43, R43a, R51, R53, R53a, R53b, bond "a", and subscript n are described herein.

ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS

-

, (2020/06/10)

Provided herein are compounds and pharmaceutical compositions thereof for treating a birthmark in a subject in need thereof, wherein the compound is according to any one of formula (1), (II), (III), (IV), and (V). wherein X1, X2, X3, R1, R2, R2a, R13, R13a, R23, R23a, R23b, R33, R33a, R33b, R43, R43a, R51, R53, R53a, R53b, bond "a", and subscript n are described herein.

FAK AND FLT3 INHIBITORS

-

Page/Page column 141, (2014/03/22)

The use of a compound of the formula (I): (Formula (I)) in the preparation of a medicament for treating Acute Myeloid Leukemia or a disease ameliorated by the inhibition of Flt3, or Flt3 and FAK.

FAK INHIBITORS

-

Page/Page column 138; 139, (2012/09/10)

A compound of the formula (I): where R1 or R2 is a cycle amine group and R5 is an aromatic group with a carbonyl containing substituent for use as a FAK inhibitor.

THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS

-

Page/Page column 25, (2009/09/05)

The invention provides a series of thieno[2,3-b]pyridine derivatives wherein Y represents a linkage of formula C(O) or S(O)2; R1 represents hydrogen, halogen, cyano, nitro, C|-6 alkyl, trifluoromethyl, Ci.6 alkoxy, trifluoromethoxy,

THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS

-

Page/Page column 35-36, (2010/01/12)

A series of thieno[2,3-6]pyridine derivatives, attached at the 2-position to a substituted anilino moiety, which are substituted in the 3-position by a carbonyl group linked to a pyrrolidin-1-yl ring which in turn forms part of a heteroatom-containing fus

THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS

-

Page/Page column 25-26, (2009/03/07)

A series of thieno[2,3-b]pyridine derivatives which are substituted in the 2- position by a substituted anilino moiety, being selective inhibitors of human MEK (MAPKK) enzymes, are accordingly of benefit in medicine, for example in the treatment, of inflammatory, autoimmune, cardiovascular, proliferative (including oncological) and nociceptive conditions.

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