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102-36-3

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102-36-3 Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 102-36-3 differently. You can refer to the following data:
1. White low melting solid
2. The dichlorophenyl isocyanates are combustible, crystalline (sugar or sand-like) solids. In general, they are white to yellow in color, but the 1,4-dichloro-2-phenyl isomer is white to light green. Their flash points are generally .113C but that of the 1,3-dichloro-2-phenyl isomer is reported as 77C. These chemicals are insoluble in water, and some may be reactive. 1,2-dichloro-4-isomer (CAS 102-36-3) is the isomer of regulatory focus

Uses

Different sources of media describe the Uses of 102-36-3 differently. You can refer to the following data:
1. Methyl-labeled diuron was prepared by the reaction of 3,4-dichlorophenyl- isocyanate with C '"labeled dimethylamine.Substituted urea derivatives were prepared by reacting 3,4-dichlorophenyl isocyanate with amino acids, dipeptides, histamine. The R- and S-isomers and RS-racemate of MBPU were synthesized by allowing equimolar quantities of 3,4-dichlorophenyl- isocyanate
2. 3,4-Dichlorophenyl isocyanate was used in the synthesis of 1,5-disubstituted-2-thiobiuret derivatives via reaction with thioureido-containing aromatic/heterocyclic sulfonamides.

General Description

White to yellow solid. Used as a chemical intermediate and in organic synthesis.

Reactivity Profile

Isocyanates and thioisocyanates, such as Isocyanic acid 3,4-dichlorophenyl ester, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide.

Health Hazard

Strong irritant to tissue, especially eyes and mucous membranes

Fire Hazard

Inhalation of dust is poisonous; fire may produce irritating or poisonous gases.

Flammability and Explosibility

Notclassified

Potential Exposure

Those materials used as chemical intermediates

Shipping

UN2250 Dichlorophenyl isocyanates, Hazard Class: 6.1; Labels: 6.1-Poisonous materials.

Incompatibilities

May form explosive mixture with air. Isocyanates are highly flammable and reactive with many compounds, even with themselves. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Reaction with moist air, water or alcohols may form amines and insoluble polyureas and react exothermically, releasing toxic, corrosive or flammable gases, including carbon dioxide; and, at the same time, may generate a violent release of heat increasing theconcentration of fumes in the air. Incompatible with amines, aldehydes, alkali metals, ammonia, carboxylic acids, caprolactum, alkaline materials, glycols, ketones, mercaptans, hydrides, organotin catalysts, phenols, strong acids, strong bases, strong reducing agents such as hydrides, urethanes, and ureas. Elevated temperatures or contact with acids, bases, tertiary amines, and acylchlorides may cause explosive polymerization. Contact with metals may evolve flammable hydrogen gas. Attacks some plastics, rubber, and coatings.

Waste Disposal

Combustion in an incinerator equipped with afterburner and fume scrubber

Check Digit Verification of cas no

The CAS Registry Mumber 102-36-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,0 and 2 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 102-36:
(5*1)+(4*0)+(3*2)+(2*3)+(1*6)=23
23 % 10 = 3
So 102-36-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H

102-36-3 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (A16298)  3,4-Dichlorophenyl isocyanate, 97%   

  • 102-36-3

  • 5g

  • 378.0CNY

  • Detail
  • Alfa Aesar

  • (A16298)  3,4-Dichlorophenyl isocyanate, 97%   

  • 102-36-3

  • 25g

  • 1286.0CNY

  • Detail
  • Aldrich

  • (245607)  3,4-Dichlorophenylisocyanate  97%

  • 102-36-3

  • 245607-10G

  • 913.77CNY

  • Detail

102-36-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name Isocyanic acid 3,4-dichlorophenyl ester

1.2 Other means of identification

Product number -
Other names 3,4-DICHLOROPHENYLCARBIMIDE

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:102-36-3 SDS

102-36-3Synthetic route

bis(trichloromethyl) carbonate
32315-10-9

bis(trichloromethyl) carbonate

m,p-dichloroaniline
95-76-1

m,p-dichloroaniline

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃;96%
In 1,2-dichloro-ethane at 70 - 83℃;91.9%
With triethylamine In benzene for 3h; Heating;
phosgene
75-44-5

phosgene

m,p-dichloroaniline
95-76-1

m,p-dichloroaniline

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

Conditions
ConditionsYield
With bis(trichloromethyl) carbonate at 80℃; for 3.3h; Temperature;94%
With ethyl acetate
With sodium hydrogencarbonate In dichloromethane; water; toluene at 0 - 20℃;
3,4-dichloronitrobenzene
99-54-7

3,4-dichloronitrobenzene

carbon monoxide
201230-82-2

carbon monoxide

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

Conditions
ConditionsYield
With pyridine; rhodium(III) chloride; bis(acetylacetonate)oxovanadium; 1-methyl-4-nitrobenzene; Azobenzene In chlorobenzene at 175℃; under 60004.8 Torr; for 1h; Product distribution; other reagents;
With pyridine; palladium dichloride In chlorobenzene at 160℃; under 76000 Torr; for 1h; Product distribution; other temperature, effects of adding Fe, V, Mo compounds and other additives on the conversion and selectivity of reaction;
With N,N-diphenylaminobenzene; palladium dichloride at 200℃; under 76000 Torr; Product distribution; selectivity of reaction, combined carbonylation with 3-chloronitrobenzene and azobenzene, influence of bases, salts;
DCMU
330-54-1

DCMU

A

dimethyl amine
124-40-3

dimethyl amine

B

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

Conditions
ConditionsYield
at 170 - 220℃; Thermodynamic data; ΔH; heat of dissociation;
With hydrogenchloride; potassium chloride at 60.1℃; Kinetics; Further Variations:; Reagents; pH-values;
3-Methyl-pyrazole-1-carboxylic acid (3,4-dichloro-phenyl)-amide
69413-37-2

3-Methyl-pyrazole-1-carboxylic acid (3,4-dichloro-phenyl)-amide

A

3-Methylpyrazole
1453-58-3

3-Methylpyrazole

B

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

Conditions
ConditionsYield
With dibutylamine In tetrachloromethane at 40℃; Rate constant;
In 1,4-dioxane at 40℃; Rate constant; var. aprotic solvents;
ethyl (3,4-dichlorophenyl)carbamate
7159-94-6

ethyl (3,4-dichlorophenyl)carbamate

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

Conditions
ConditionsYield
With boron trichloride; triethylamine In benzene for 0.5h; Heating;97 % Chromat.
methyl N-(3,4-dichlorophenyl)carbamate
1918-18-9

methyl N-(3,4-dichlorophenyl)carbamate

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

Conditions
ConditionsYield
With boron trichloride; triethylamine In benzene for 0.5h; Heating;87 % Chromat.
1-Butyl-3-(3,4-dichlorophenyl)-1-methylurea
555-37-3

1-Butyl-3-(3,4-dichlorophenyl)-1-methylurea

A

N-n-butyl-N-methylamine
110-68-9

N-n-butyl-N-methylamine

B

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

Conditions
ConditionsYield
With hydrogenchloride; potassium chloride at 60.1℃; Kinetics; Further Variations:; Reagents;
3,4-dichlorobenzoyl chloride
3024-72-4

3,4-dichlorobenzoyl chloride

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

Conditions
ConditionsYield
With sodium azide In toluene for 1h; Heating;
Multi-step reaction with 2 steps
1: sodium azide / acetone / 0.5 h / 0 °C
2: toluene / 1 h / 100 °C / Reflux
View Scheme
3,4-dichlorbenzoic acid
51-44-5

3,4-dichlorbenzoic acid

Nα-Fmoc-Nim-tert-butyloxycarbonyl-L-tryptophan 4-hydroxymethylphenoxy resin

Nα-Fmoc-Nim-tert-butyloxycarbonyl-L-tryptophan 4-hydroxymethylphenoxy resin

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride
2: sodium azide / toluene / 1 h / Heating
View Scheme
3,4-dichlorobenzoyl azide
6112-01-2

3,4-dichlorobenzoyl azide

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

Conditions
ConditionsYield
In toluene at 100℃; for 1h; Reflux;
bis(2-trimethylsilyloxylethyl)amine
20836-40-2

bis(2-trimethylsilyloxylethyl)amine

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

N'-(3,4-Dichlorophenyl)-N,N-bis<2-(trimethylsiloxy)ethyl>urea

N'-(3,4-Dichlorophenyl)-N,N-bis<2-(trimethylsiloxy)ethyl>urea

Conditions
ConditionsYield
In benzene for 1h; Heating;100%
2-(trimethylsiloxy)-N-(trimethylsilyl)ethylamine
17165-52-5

2-(trimethylsiloxy)-N-(trimethylsilyl)ethylamine

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

N'-(3,4-dichlorophenyl)-N-<2-(trimethylsiloxy)ethyl>-N-(trimethylsilyl)urea

N'-(3,4-dichlorophenyl)-N-<2-(trimethylsiloxy)ethyl>-N-(trimethylsilyl)urea

Conditions
ConditionsYield
In benzene Heating;100%
3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

6,7-dimethoxy-4-(1-piperazinyl)quinazoline
21584-72-5

6,7-dimethoxy-4-(1-piperazinyl)quinazoline

N-(3,4-Dichlorophenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide

N-(3,4-Dichlorophenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃;100%
(3S)-3-aminomethyl-4-(4-[3-(2-methoxybenzyloxy)propoxy]phenyl)-5-oxopiperazine-1-carboxylic acid tert-butyl ester
777934-64-2

(3S)-3-aminomethyl-4-(4-[3-(2-methoxybenzyloxy)propoxy]phenyl)-5-oxopiperazine-1-carboxylic acid tert-butyl ester

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

(3S)-3-[3-(3,4-dichlorophenyl)ureidomethyl]-(4-[3-(2-methoxybenzyloxy)propoxy]phenyl)-5-oxopiperazine-1-carboxylic acid tert-butyl ester
777934-68-6

(3S)-3-[3-(3,4-dichlorophenyl)ureidomethyl]-(4-[3-(2-methoxybenzyloxy)propoxy]phenyl)-5-oxopiperazine-1-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
In dichloromethane at 20℃; for 18h;100%
4-[(1-ethylpiperidin-3-yl)methyl]piperidin-4-ol dihydrochloride

4-[(1-ethylpiperidin-3-yl)methyl]piperidin-4-ol dihydrochloride

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

N-(3,4-dichlorophenyl)-4-[(1-ethylpiperidin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide

N-(3,4-dichlorophenyl)-4-[(1-ethylpiperidin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide for 0.166667h;100%
3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

1,3,5-Tris-(3,4-dichloro-phenyl)-[1,3,5]triazinane-2,4,6-trione

1,3,5-Tris-(3,4-dichloro-phenyl)-[1,3,5]triazinane-2,4,6-trione

Conditions
ConditionsYield
With tetrabutylammonium phthalimide-N-oxyl at 50℃; for 0.00833333h; Neat (no solvent);99%
With potassium phthalimide N-oxide at 70℃; for 0.0666667h;97%
With 1,5,7-triazabicyclo[4.4.0]dec-5-enium acetate at 50℃; for 0.00388889h;95%
ethyl 4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxylate
912330-17-7

ethyl 4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxylate

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

ethyl 5-(3,4-dichlorophenylcarbamoyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxylate
1239953-30-0

ethyl 5-(3,4-dichlorophenylcarbamoyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxylate

Conditions
ConditionsYield
In toluene for 2h; Reflux;99%
2-amino-6-methyl-4-chloropyrimidine
5600-21-5

2-amino-6-methyl-4-chloropyrimidine

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

1-(4-chloro-6-methyl-2-pyrimidinyl)-3-(3,4-dichlorophenyl)urea

1-(4-chloro-6-methyl-2-pyrimidinyl)-3-(3,4-dichlorophenyl)urea

Conditions
ConditionsYield
In toluene for 15h; Inert atmosphere; Reflux;99%
In 1,4-dioxane for 15h; Reflux;69%
dimethyl amine
124-40-3

dimethyl amine

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

DCMU
330-54-1

DCMU

Conditions
ConditionsYield
In toluene at 5 - 12℃; Temperature; Inert atmosphere; Green chemistry;98.3%
1,2,3,4-thiatriazole-5-amine
6630-99-5

1,2,3,4-thiatriazole-5-amine

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

1-(3,4-Dichloro-phenyl)-3-[2-(3,4-dichloro-phenyl)-3-oxo-2,3-dihydro-[1,2,4]thiadiazol-5-yl]-urea
119872-20-7

1-(3,4-Dichloro-phenyl)-3-[2-(3,4-dichloro-phenyl)-3-oxo-2,3-dihydro-[1,2,4]thiadiazol-5-yl]-urea

Conditions
ConditionsYield
In pyridine at 10 - 15℃; for 24h;98%
3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

(R)-2-(4-Methoxy-benzylamino)-propionic acid 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-undecyl ester

(R)-2-(4-Methoxy-benzylamino)-propionic acid 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-undecyl ester

(R)-3-(3,4-Dichloro-phenyl)-1-(4-methoxy-benzyl)-5-methyl-imidazolidine-2,4-dione

(R)-3-(3,4-Dichloro-phenyl)-1-(4-methoxy-benzyl)-5-methyl-imidazolidine-2,4-dione

Conditions
ConditionsYield
Stage #1: 3,4-dichlorophenylisocyanate; (R)-2-(4-Methoxy-benzylamino)-propionic acid 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-undecyl ester With triethylamine In dichloromethane at 25℃; for 2h;
Stage #2: With Amberlite G-50 ion-exchange resin; fluorous reverse-phase silica In dichloromethane
98%
3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

methyl N-[5(6)-(4-aminophenylsulfanyl)benzimidazol-2-yl]carbamate
56073-96-2

methyl N-[5(6)-(4-aminophenylsulfanyl)benzimidazol-2-yl]carbamate

(5-{4-[3-(3,4-dichloro-phenyl)-ureido]-phenylsulfanyl}-1H-benzoimidazol-2-yl)-carbamic acid methyl ester
209803-72-5

(5-{4-[3-(3,4-dichloro-phenyl)-ureido]-phenylsulfanyl}-1H-benzoimidazol-2-yl)-carbamic acid methyl ester

Conditions
ConditionsYield
In dimethyl sulfoxide at 20℃;98%
3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

(2E)-4-{[(tert-butyl)diphenylsilyl]oxy}-3-methylbut-2-en-1-ol
929897-51-8

(2E)-4-{[(tert-butyl)diphenylsilyl]oxy}-3-methylbut-2-en-1-ol

(2E)-4-(tert-butyl(diphenyl)silyloxy)-3-methylbut-2-en-1-yl (3,4-dichlorophenyl)carbamate
1009734-59-1

(2E)-4-(tert-butyl(diphenyl)silyloxy)-3-methylbut-2-en-1-yl (3,4-dichlorophenyl)carbamate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃;98%
3-aminoindazole
874-05-5

3-aminoindazole

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

N-(3,4-dichlorophenyl)-3-(([(3,4-dichlorophenyl)amino]carbonyl)amino)-1H-indazole-1-carboxamide
1119859-99-2

N-(3,4-dichlorophenyl)-3-(([(3,4-dichlorophenyl)amino]carbonyl)amino)-1H-indazole-1-carboxamide

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; Reflux;98%
(4-Thiazolidin-2-yl-phenyl)-carbamic acid ethyl ester
84832-85-9

(4-Thiazolidin-2-yl-phenyl)-carbamic acid ethyl ester

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

{4-[3-(3,4-Dichloro-phenylcarbamoyl)-thiazolidin-2-yl]-phenyl}-carbamic acid ethyl ester
84832-95-1

{4-[3-(3,4-Dichloro-phenylcarbamoyl)-thiazolidin-2-yl]-phenyl}-carbamic acid ethyl ester

Conditions
ConditionsYield
In benzene for 1h; Heating;97.5%
3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

methyl N-[5(6)-(4-aminophenylsulfanyl)benzimidazol-2-yl]carbamate
56073-96-2

methyl N-[5(6)-(4-aminophenylsulfanyl)benzimidazol-2-yl]carbamate

(1-(3,4-dichloro-phenylcarbamoyl)-5-{4-[3-(3,4-dichloro-phenyl)-ureido]-phenylsulfanyl}-1H-benzoimidazol-2-yl)-carbamic acid methyl ester

(1-(3,4-dichloro-phenylcarbamoyl)-5-{4-[3-(3,4-dichloro-phenyl)-ureido]-phenylsulfanyl}-1H-benzoimidazol-2-yl)-carbamic acid methyl ester

Conditions
ConditionsYield
In dimethyl sulfoxide at 70 - 80℃; for 3h;97.1%
methyl 3-(2-amino-6-nitroquinazolin-4ylamino)propanoate
1308319-97-2

methyl 3-(2-amino-6-nitroquinazolin-4ylamino)propanoate

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

methyl 3-(2-(3-(3,4-dichlorophenyl)ureido)-6-nitroquinazolin-4-ylamino)propanoate
1308320-05-9

methyl 3-(2-(3-(3,4-dichlorophenyl)ureido)-6-nitroquinazolin-4-ylamino)propanoate

Conditions
ConditionsYield
In 1,4-dioxane at 120℃; for 0.0833333h; Microwave irradiation;97%
tert-butyl 3-((pyridin-3-yloxy)methyl)piperazine-1-carboxylate
960535-17-5

tert-butyl 3-((pyridin-3-yloxy)methyl)piperazine-1-carboxylate

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

C22H26Cl2N4O4
1609464-51-8

C22H26Cl2N4O4

Conditions
ConditionsYield
In dichloromethane for 1h;97%
2-methyl-2-methylaminopropionaldoxime
77454-92-3

2-methyl-2-methylaminopropionaldoxime

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

1-(3,4-Dichloro-phenyl)-5-hydroxyamino-3,4,4-trimethyl-imidazolidin-2-one
88235-68-1

1-(3,4-Dichloro-phenyl)-5-hydroxyamino-3,4,4-trimethyl-imidazolidin-2-one

Conditions
ConditionsYield
With sodium hydroxide In water Heating;96%
3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

5-hydroxy-3-methylpyrazole
132712-71-1, 4344-87-0, 145091-87-8

5-hydroxy-3-methylpyrazole

5-Hydroxy-3-methyl-pyrazole-1-carboxylic acid (3,4-dichloro-phenyl)-amide
85220-08-2

5-Hydroxy-3-methyl-pyrazole-1-carboxylic acid (3,4-dichloro-phenyl)-amide

Conditions
ConditionsYield
In chloroform for 15h; Ambient temperature;96%
3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

ethylhydrazine carboxylate
4114-31-2

ethylhydrazine carboxylate

C10H11Cl2N3O3

C10H11Cl2N3O3

Conditions
ConditionsYield
for 0.0333333h; microwave irradiation;96%
at 20℃; for 0.5h;96%
pyridine
110-86-1

pyridine

dimethyl acetylenedicarboxylate
762-42-5

dimethyl acetylenedicarboxylate

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

1-(3,4-dichloro-phenyl)-2-oxo-1,9a-dihydro-2H-pyrido[1,2-a]pyrimidine-3,4-dicarboxylic acid dimethyl ester

1-(3,4-dichloro-phenyl)-2-oxo-1,9a-dihydro-2H-pyrido[1,2-a]pyrimidine-3,4-dicarboxylic acid dimethyl ester

Conditions
ConditionsYield
Stage #1: pyridine; 3,4-dichlorophenylisocyanate In dichloromethane
Stage #2: dimethyl acetylenedicarboxylate In dichloromethane at -5℃; for 0.166667h;
Stage #3: In dichloromethane at 20℃; for 2h; Further stages.;
96%
4-(3-Aminopropyl)morpholine
123-00-2

4-(3-Aminopropyl)morpholine

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

1-(3,4-dichlorophenyl)-3-(3-morpholinopropyl)urea

1-(3,4-dichlorophenyl)-3-(3-morpholinopropyl)urea

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane In tetrahydrofuran at 20℃;96%
3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

5-amino-3-benzylthio-4-ethoxycarbonyl-1H-pyrazol
133863-84-0

5-amino-3-benzylthio-4-ethoxycarbonyl-1H-pyrazol

5-Amino-3-benzylsulfanyl-1-(3,4-dichloro-phenylcarbamoyl)-1H-pyrazole-4-carboxylic acid ethyl ester
172845-73-7

5-Amino-3-benzylsulfanyl-1-(3,4-dichloro-phenylcarbamoyl)-1H-pyrazole-4-carboxylic acid ethyl ester

Conditions
ConditionsYield
In tetrahydrofuran Ambient temperature;95.1%
(hydroxy-phenyl-methyl)-phosphonic acid diisopropyl ester
20386-43-0

(hydroxy-phenyl-methyl)-phosphonic acid diisopropyl ester

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

[(3,4-Dichloro-phenylcarbamoyloxy)-phenyl-methyl]-phosphonic acid diisopropyl ester

[(3,4-Dichloro-phenylcarbamoyloxy)-phenyl-methyl]-phosphonic acid diisopropyl ester

Conditions
ConditionsYield
With triethylamine In benzene at 50 - 60℃;95%
(Z)-trimethylsilyl N-trimethylsilylacetimidate
10416-59-8, 132255-83-5

(Z)-trimethylsilyl N-trimethylsilylacetimidate

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

1,3-Bis(3,4-dichlorphenyl)-6-methyl-5-trimethylsilyl-6-trimethylsilyloxy-1,3,5-triazinan-2,4-dion
96088-24-3

1,3-Bis(3,4-dichlorphenyl)-6-methyl-5-trimethylsilyl-6-trimethylsilyloxy-1,3,5-triazinan-2,4-dion

Conditions
ConditionsYield
In cyclohexane for 16h; Ambient temperature;95%
1,5,5-trimethyl-3-phenyl-4-hydroxylaminoimidazolidin-2-one
88235-70-5

1,5,5-trimethyl-3-phenyl-4-hydroxylaminoimidazolidin-2-one

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

C19H20Cl2N4O3
132373-10-5

C19H20Cl2N4O3

Conditions
ConditionsYield
In acetone95%
2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzoquinolizine-2-carbonitrile
133308-74-4, 136334-26-4

2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzoquinolizine-2-carbonitrile

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

(+/-)-2R*,11bS*-N-(2-Cyano-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzoquinolizin-2-yl)-N'-(3
133308-65-3, 136334-35-5

(+/-)-2R*,11bS*-N-(2-Cyano-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzoquinolizin-2-yl)-N'-(3",4"-dichlorophenyl)urea

Conditions
ConditionsYield
In benzene for 2h; Ambient temperature;95%
2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzoquinolizine-2-carbonitrile
133308-74-4, 136334-26-4

2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzoquinolizine-2-carbonitrile

3,4-dichlorophenylisocyanate
102-36-3

3,4-dichlorophenylisocyanate

(+/-)-2R*,11bS*-3'-(3-2'-one" src="//file1.lookchem.com/cas/reactions/2021/06/07/4831391.png_ms" />
136334-42-4

(+/-)-2R*,11bS*-3'-(3",4"-Dichlorophenyl)-4'-imino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrospiroquinolizin-2,5'-imidazolidin>-2'-one

Conditions
ConditionsYield
With triethylamine In benzene for 3h; Ambient temperature; sonication;95%

102-36-3Relevant articles and documents

COMBINED CARBONYLATION OF NITRO AND AZO COMPOUNDS IN THE SYNTHESIS OF ISOCYANATES

Manov-Yuvenskii, V. I.,Petrovskii, K. B.,Lapidus, A. L.

, p. 2486 - 2489 (1984)

-

Kinetics and mechanism of hydrolysis of phenylureas

Salvestrini, Stefano,Di Cerbo, Paola,Capasso, Sante

, p. 1889 - 1893 (2002)

The hydrolysis of phenylureas has been found to be affected by temperature, pH and buffer concentration. Kinetic evidence suggests that the formation of phenylisocyanate, the initial product in the title reaction, occurs via an intermediate zwitterion. Depending on pH and buffer concentrations, the zwitterion can be produced through three parallel routes: at low pH, specific acid-general base catalysis, followed by slow deprotonation of a nitrogen atom by a general base; at high pH, specific basic-general acid catalysis, followed by slow protonation of a N atom by a general acid; at intermediate pH the reaction proceeds through a proton switch promoted by buffers. Bifunctional acid-base buffers such as HCO3-/CO32-, H2PO42- and CH3COOH/CH3COO- are very efficient catalysts. At high buffer concentration, as well as at pH 12, the breakdown of the zwitterion is rate-determining. The results are discussed in relation to recently published papers reporting different pathways.

INFLUENCE OF PYRIDINE AND COMPOUNDS OF VANADIUM, IRON, AND MOLIBDENUM ON THE CARBONYLATION OF AZO AND NITRO COMPOUNDS IN THE PRESENCE OF RhCl3-4H2O

Manov-Yuvenskii, V. I.,Petrovskii, K. B.,Lapidus, A. L.

, p. 546 - 549 (1983)

-

Synthesis process of 3,4-dichlorophenyl isocyanate

-

Paragraph 0026-0031, (2021/02/13)

The invention discloses a synthesis process of 3,4-dichlorophenyl isocyanate. The synthesis process comprises the following steps: adding 3,4-dichloroaniline and a solvent into a reaction kettle to obtain a 3,4-dichloroaniline solution while adding solid phosgene into the reaction kettle, and heating for dissolving; when the temperature of the reaction kettle reaches 60-100 DEG C, controlling thedripping speed through a DCS to start to dropwise add the 3,4-dichloroaniline solution in the step S1, so that 3,4-dichloroaniline and solid phosgene generate 3,4-dichloroaniline hydrochloride and 3,4-dichlorobenzene methylamino acyl chloride in a solvent medium; removing hydrogen chloride from the 3,4-dichlorobenzene methylamino acyl chloride obtained in S3 to obtain 3,4-dichlorophenyl isocyanate, and after dropwise adding is finished, carrying out reflux heat preservation for 1-3 h; and removing the acid-containing solvent at normal pressure, recycling, transferring the concentrated solutionto a rectifying still, and rectifying to obtain the product 3,4-dichlorophenyl isocyanate. According to the invention, green chemicals are used as production raw materials, so that potential safety hazards caused by phosgene leakage are reduced; and common chemical solid phosgene is adopted to replace virulent phosgene to serve as an acylation reagent, and a green degradable ester solvent is adopted as a reaction medium.

Disrupting the Conserved Salt Bridge in the Trimerization of Influenza A Nucleoprotein

Woodring, Jennifer L.,Lu, Shao-Hung,Krasnova, Larissa,Wang, Shih-Chi,Chen, Jhih-Bin,Chou, Chiu-Chun,Huang, Yi-Chou,Cheng, Ting-Jen Rachel,Wu, Ying-Ta,Chen, Yu-Hou,Fang, Jim-Min,Tsai, Ming-Daw,Wong, Chi-Huey

supporting information, p. 205 - 215 (2020/01/02)

Antiviral drug resistance in influenza infections has been a major threat to public health. To develop a broad-spectrum inhibitor of influenza to combat the problem of drug resistance, we previously identified the highly conserved E339?R416 salt bridge of the nucleoprotein trimer as a target and compound 1 as an inhibitor disrupting the salt bridge with an EC50 = 2.7 μM against influenza A (A/WSN/1933). We have further modified this compound via a structure-based approach and performed antiviral activity screening to identify compounds 29 and 30 with EC50 values of 110 and 120 nM, respectively, and without measurable host cell cytotoxicity. Compared to the clinically used neuraminidase inhibitors, these two compounds showed better activity profiles against drug-resistant influenza A strains, as well as influenza B, and improved survival of influenza-infected mice.

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