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5958-24-7

5958-24-7

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5958-24-7 Usage

Chemical Properties

White Yellow Solid

Uses

Chlordiazepoxide (C327050) derivative.

Check Digit Verification of cas no

The CAS Registry Mumber 5958-24-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,9,5 and 8 respectively; the second part has 2 digits, 2 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 5958-24:
(6*5)+(5*9)+(4*5)+(3*8)+(2*2)+(1*4)=127
127 % 10 = 7
So 5958-24-7 is a valid CAS Registry Number.
InChI:InChI=1/C15H10Cl2N2O/c16-9-14-18-13-7-6-11(17)8-12(13)15(19(14)20)10-4-2-1-3-5-10/h1-8H,9H2

5958-24-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-chloro-2-(chloromethyl)-3-oxido-4-phenylquinazolin-3-ium

1.2 Other means of identification

Product number -
Other names Cmpcqo

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:5958-24-7 SDS

5958-24-7Synthetic route

chloroacetyl chloride
79-04-9

chloroacetyl chloride

2-amino-5-chlorobenzophenone oxime
18097-52-4

2-amino-5-chlorobenzophenone oxime

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

Conditions
ConditionsYield
In acetic acid at 50℃; for 0.166667h;74%
2-Amino-5-chlorobenzophenone
719-59-5

2-Amino-5-chlorobenzophenone

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 89 percent / NH2OH*HCl / aq. ethanol / 10 h / Heating
2: 74 percent / acetic acid / 0.17 h / 50 °C
View Scheme
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

dimethyl amine
124-40-3

dimethyl amine

6-Chlor-2-(dimethylamino)methyl-4-phenyl-chinazolin-3-oxid
72624-66-9

6-Chlor-2-(dimethylamino)methyl-4-phenyl-chinazolin-3-oxid

Conditions
ConditionsYield
In methanol for 72h; Ambient temperature;97%
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

N-Demethylchlordiazepoxide
7722-15-8

N-Demethylchlordiazepoxide

Conditions
ConditionsYield
With ammonia In methanol for 72h; Ambient temperature;96%
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

N-methylaniline
100-61-8

N-methylaniline

6-Chlor-2-<(N-methyl)-phenylamino>methyl-4-phenyl-chinazolin-3-oxid

6-Chlor-2-<(N-methyl)-phenylamino>methyl-4-phenyl-chinazolin-3-oxid

Conditions
ConditionsYield
In methanol for 72h; Ambient temperature;76%
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

aniline
62-53-3

aniline

6-Chlor-4-phenyl-2-(phenylamino)methyl-chinazolin-3-oxid
27424-13-1

6-Chlor-4-phenyl-2-(phenylamino)methyl-chinazolin-3-oxid

Conditions
ConditionsYield
In methanol for 72h; Ambient temperature;65%
4-(2-AMINOETHYL)MORPHOLINE
2038-03-1

4-(2-AMINOETHYL)MORPHOLINE

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

(7-chloro-4-oxy-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-(2-morpholin-4-yl-ethyl)-amine

(7-chloro-4-oxy-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-(2-morpholin-4-yl-ethyl)-amine

4-(3-Aminopropyl)morpholine
123-00-2

4-(3-Aminopropyl)morpholine

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

(7-chloro-4-oxy-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-(3-morpholin-4-yl-propyl)-amine

(7-chloro-4-oxy-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-(3-morpholin-4-yl-propyl)-amine

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

6-chloro-2-phenylbenzo[d]oxazole
15952-20-2

6-chloro-2-phenylbenzo[d]oxazole

Conditions
ConditionsYield
In benzene Irradiation;
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

8-chloro-6-phenyl-1H-benzo[d][1,2,6]oxadiazocin-2-one oxime
30739-32-3

8-chloro-6-phenyl-1H-benzo[d][1,2,6]oxadiazocin-2-one oxime

Conditions
ConditionsYield
With potassium chloride; hydroxylamine hydrochloride In ethanol
piperidine
110-89-4

piperidine

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

6-Chlor-4-phenyl-2-piperidinomethyl-chinazolin-3-oxid
21804-17-1

6-Chlor-4-phenyl-2-piperidinomethyl-chinazolin-3-oxid

Conditions
ConditionsYield
In methanol for 72h; Ambient temperature;1.74 g
N,N-dimethyl acetamide
127-19-5

N,N-dimethyl acetamide

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

<7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-ylidene>N,N-dimethylacetamide 4-oxide
109774-48-3

<7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-ylidene>N,N-dimethylacetamide 4-oxide

Conditions
ConditionsYield
With lithium diisopropyl amide 1) hexane, tetrahydrofuran, below -50 deg C 2) warming to room temperature, 1 h; Yield given. Multistep reaction;
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

<7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-ylidene>-N,N-dimethylacetamide
109774-49-4

<7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-ylidene>-N,N-dimethylacetamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1) lithium diisopropylamide / 1) hexane, tetrahydrofuran, below -50 deg C 2) warming to room temperature, 1 h
2: PCl3 / CH2Cl2 / 0.5 h
View Scheme
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

7-chloro-alpha-(hydroxyimino)-N,N-dimethyl-5-phenyl-3H-1,4-benzodiazepine-2-acetamide 4-oxide
109789-71-1

7-chloro-alpha-(hydroxyimino)-N,N-dimethyl-5-phenyl-3H-1,4-benzodiazepine-2-acetamide 4-oxide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1) lithium diisopropylamide / 1) hexane, tetrahydrofuran, below -50 deg C 2) warming to room temperature, 1 h
2: 73 percent / sodium nitrite, acetic acid / 1 h
View Scheme

5958-24-7Relevant articles and documents

Mechanism of selective formation of 2-amino-substituted 1,4-benzodiazepin-4-oxides and 2-aminomethyl substituted quinazolin-3-oxides from chloromethyl quinazolin-N-oxides indications from perturbation theory

Lessel

, p. 77 - 84 (2007/10/02)

The o-amino-acetophenone and -benzophenone oximes 1a-c react with chloroacetyl chloride giving the 2-chloromethyl-quinazoline-3-oxides 6a-c. The mechanism is explained using the perturbation theory. With ammonia and N-prim. aliphatic amines, compounds 6a-c yield 1,4-benzodiazepines 16 and 17 as ring-enlarged products, with aromatic and with N-sec. aliphatic amines, quinazoline derivatives 10-13 are formed. The constitution of the heterocycles is proved by nmr spectroscopic methods. Selective formation of the heterocyclic products is explained with the relative thermodynamic stability of the corresponding 2-adducts 14.

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