Product Name

  • Name

    Methylaminoformyl chloride

  • EINECS 229-253-7
  • CAS No. 6452-47-7
  • Article Data11
  • CAS DataBase
  • Density 1.185 g/cm3
  • Solubility
  • Melting Point 45 °C
  • Formula C2H4ClNO
  • Boiling Point 93oC (dec.)
  • Molecular Weight 93.5129
  • Flash Point
  • Transport Information
  • Appearance white crystals
  • Safety
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 6452-47-7 (Methylaminoformyl chloride)
  • Hazard Symbols Xn
  • Synonyms Carbamoylchloride, methyl- (7CI);Methylcarbamoyl chloride;N-Methylcarbamoyl chloride;NSC 133003;
  • PSA 29.10000
  • LogP 0.95550

Synthetic route

methycarbamoyl chloride

methycarbamoyl chloride

1,1-Dimethylurea
598-94-7

1,1-Dimethylurea

methyl isocyanate
624-83-9

methyl isocyanate

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
In chloroform96.7%
...Expand
Ethyl N-methylcarbamate
105-40-8

Ethyl N-methylcarbamate

A

methyl isocyanate
624-83-9

methyl isocyanate

B

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
With Phenyltrichlorosilane at 100 - 150℃; for 1h;A 77.3%
B n/a
methyl isocyanate
624-83-9

methyl isocyanate

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane at 15℃; for 0.5h;54.4%
With hydrogenchloride In tetrachloromethane
With hydrogenchloride
phosgene
75-44-5

phosgene

methylamine hydrochloride
593-51-1

methylamine hydrochloride

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
at 250 - 300℃;
at 250 - 300℃;
phosgene
75-44-5

phosgene

methylamine
74-89-5

methylamine

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
at 275℃;
N-methyl-thiocarbamic acid S-methyl ester
22013-97-4

N-methyl-thiocarbamic acid S-methyl ester

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
With chlorine In Dimethyldisulphide at -15 - -10℃; for 0.833333h;
3-(oxetan-3-ylmethoxy)-4-phenoxyaniline

3-(oxetan-3-ylmethoxy)-4-phenoxyaniline

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

1-methyl-3-[3-(oxetan-3-ylmethoxy)-4-phenoxyphenyl]urea

1-methyl-3-[3-(oxetan-3-ylmethoxy)-4-phenoxyphenyl]urea

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 25℃; for 16h;100%
4'-ethyl-2-methylbiphenyl-4-amine

4'-ethyl-2-methylbiphenyl-4-amine

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

1-(4'-ethyl-2-methylbiphenyl-4-yl)-3-methylurea

1-(4'-ethyl-2-methylbiphenyl-4-yl)-3-methylurea

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 25℃; for 16h; Inert atmosphere;100%
1-iodo-5, 6,7,8-tetrahydroimidazo[1,5-a]pyrazine hydrochloride

1-iodo-5, 6,7,8-tetrahydroimidazo[1,5-a]pyrazine hydrochloride

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃; for 1h;98%
methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

N-methyl-5-(trifluoromethyl)-1 3,4-thiadiazol-2-amine
25366-22-7

N-methyl-5-(trifluoromethyl)-1 3,4-thiadiazol-2-amine

1-methyl-3-methyl-3-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)urea
25366-23-8

1-methyl-3-methyl-3-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)urea

Conditions
ConditionsYield
With triethylamine In toluene at 30 - 75℃; for 5h; Temperature; Reagent/catalyst;97.5%
methyl 1H-pyrazole 3-carboxylate
15366-34-4

methyl 1H-pyrazole 3-carboxylate

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

methyl 1-(methylcarbamoyl)-1H-pyrazole-3-carboxylate

methyl 1-(methylcarbamoyl)-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at -78 - 20℃; for 18h;96%
N-(7-hydroxy-8-methoxy-2-oxo-2H-chromen-3-yl)-3',6-dimethoxy-[1,1'-biphenyl]-3-carboxamide
1160952-27-1

N-(7-hydroxy-8-methoxy-2-oxo-2H-chromen-3-yl)-3',6-dimethoxy-[1,1'-biphenyl]-3-carboxamide

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

3-(3',6-dimethoxy-[1,1'-biphenyl]-3-ylcarboxamido)-8-methoxy-2-oxo-2H-chromen-7-yl methylcarbamate
1160952-33-9

3-(3',6-dimethoxy-[1,1'-biphenyl]-3-ylcarboxamido)-8-methoxy-2-oxo-2H-chromen-7-yl methylcarbamate

Conditions
ConditionsYield
In pyridine for 12h;90%
4-amino-1-(3-bromophenyl)-1H-pyrazole-3-carboxamide
850727-84-3

4-amino-1-(3-bromophenyl)-1H-pyrazole-3-carboxamide

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

1-(3-bromophenyl)-4-[(methylcarbamoyl)amino]-1H-pyrazole-3-carboxamide

1-(3-bromophenyl)-4-[(methylcarbamoyl)amino]-1H-pyrazole-3-carboxamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 2h;89%
1-(6-chloropyrimidin-4-yl)-3,5-dimethyl-1H-pyrazol-4-ol

1-(6-chloropyrimidin-4-yl)-3,5-dimethyl-1H-pyrazol-4-ol

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

1-(6-chloropyrimidin-4-yl)-3,5-dimethyl-1H-pyrazol-4-yl methylcarbamate

1-(6-chloropyrimidin-4-yl)-3,5-dimethyl-1H-pyrazol-4-yl methylcarbamate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 5h; Inert atmosphere;89%
C19H28N2O4S

C19H28N2O4S

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

C21H30N2O5S

C21H30N2O5S

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;89%
2-hydroxy-S-allylthiophenol
5656-45-1

2-hydroxy-S-allylthiophenol

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

2-(allylthio)phenyl-N-methylcarbamate
948-85-6

2-(allylthio)phenyl-N-methylcarbamate

Conditions
ConditionsYield
Stage #1: 2-hydroxy-S-allylthiophenol With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.5h;
Stage #2: methylcarbamoyl chloride In tetrahydrofuran at 0 - 20℃; for 24.25h;		88%
ethyl 2-amino-4-(3-nitrophenyl)thiophene-3-carboxylate
433701-34-9

ethyl 2-amino-4-(3-nitrophenyl)thiophene-3-carboxylate

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

C15H15N3O5S

C15H15N3O5S

Conditions
ConditionsYield
In dichloromethane at 0℃;87.5%
3-(1-benzyl-1H‑1,2,3‑triazol-4-yl)phenol

3-(1-benzyl-1H‑1,2,3‑triazol-4-yl)phenol

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

N-methyl-3-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl carbamate
1128193-61-2

N-methyl-3-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl carbamate

Conditions
ConditionsYield
Stage #1: 3-(1-benzyl-1H‑1,2,3‑triazol-4-yl)phenol With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.5h;
Stage #2: methylcarbamoyl chloride In tetrahydrofuran; water		86%
methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

β-naphthol
135-19-3

β-naphthol

naphthalen-2-yl methylcarbamate
4089-04-7

naphthalen-2-yl methylcarbamate

Conditions
ConditionsYield
In Isopropylbenzene85%
3,5-diethylphenol
1197-34-8

3,5-diethylphenol

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

3,5-diethylphenyl-N-methylcarbamate
30087-47-9

3,5-diethylphenyl-N-methylcarbamate

Conditions
ConditionsYield
In o-xylene85%
N-(4-{3-[(4-methylphenyl)amino]-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-yl}pyridin-2-yl)acetamide

N-(4-{3-[(4-methylphenyl)amino]-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-yl}pyridin-2-yl)acetamide

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

2-[2-(acetylamino)pyridin-4-yl]-N-methyl-3-[(4-methylphenyl)amino]-4-oxo-1,4,5,7-tetrahydro-6H-pyrrolo[2,3-c]pyridine-6-carboxamide

2-[2-(acetylamino)pyridin-4-yl]-N-methyl-3-[(4-methylphenyl)amino]-4-oxo-1,4,5,7-tetrahydro-6H-pyrrolo[2,3-c]pyridine-6-carboxamide

Conditions
ConditionsYield
With pyridine at 20℃; for 16h;85%
2,7-diaza-spiro[3.5]nonane-2-carboxylic acid tert-butyl ester

2,7-diaza-spiro[3.5]nonane-2-carboxylic acid tert-butyl ester

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

tert-butyl 7-(methylcarbamoyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-(methylcarbamoyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate

Conditions
ConditionsYield
With triethylamine In dichloromethane Inert atmosphere;85%
8-chloro-6-(4-methylpyridin-3-yl)isoquinolin-3-amine

8-chloro-6-(4-methylpyridin-3-yl)isoquinolin-3-amine

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

1-[8-chloro-6-(4-methyl-3-pyridyl)-3-isoquinolyl]-3-methylurea

1-[8-chloro-6-(4-methyl-3-pyridyl)-3-isoquinolyl]-3-methylurea

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In 1,4-dioxane at 120℃; for 16h;84%
C16H22N2O3S

C16H22N2O3S

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

C18H24N2O4S

C18H24N2O4S

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;84%
5-(1,3-dioxoisoindolin-2-yl)-N-(piperidin-4-yl)naphthalene-1-sulfonamide

5-(1,3-dioxoisoindolin-2-yl)-N-(piperidin-4-yl)naphthalene-1-sulfonamide

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

C25H24N4O5S

C25H24N4O5S

Conditions
ConditionsYield
With triethylamine In dichloromethane at 25℃; for 8h;83%
With triethylamine In dichloromethane at 25℃; for 8h;83%
3-(3,3-difluorocyclobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

3-(3,3-difluorocyclobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

methylcarbamoyl chloride
6452-47-7

methylcarbamoyl chloride

3-(3,3-difluorocyclobutyl)-N-methyl-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxamide

3-(3,3-difluorocyclobutyl)-N-methyl-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 3h;83%

Methylaminoformyl chloride Specification

The CAS register number of Carbamic chloride,methyl- (9CI) is 6452-47-7. It also can be called as Methylaminoformyl chloride and the IUPAC name about this chemical is N-methylcarbamoyl chloride. The molecular formula about this chemical is C2H4ClNO and the molecular weight is 93.51.

Physical properties about Carbamic chloride,methyl- (9CI) are: (1)ACD/LogP: 0.28; (2)ACD/LogD (pH 5.5): 0.28; (3)ACD/LogD (pH 7.4): 0.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.76; (7)ACD/KOC (pH 7.4): 33.74; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 20.31Å2; (11)Index of Refraction: 1.415; (12)Molar Refractivity: 19.78 cm3; (13)Molar Volume: 78.8 cm3; (14)Polarizability: 7.84x10-24cm3; (15)Surface Tension: 29.1 dyne/cm.

Preparation: this chemical can be prepared by isocyanatomethane. This reaction will need reagent HCl.

Uses of Carbamic chloride,methyl- (9CI): it can be used to produce 2-oxo-imidazolidine-1-carboxylic acid methylamide with imidazolidin-2-one. The yield is about 38%.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)NC
(2)InChI: InChI=1/C2H4ClNO/c1-4-2(3)5/h1H3,(H,4,5)
(3)InChIKey: GRRYSIXDUIAUGY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C2H4ClNO/c1-4-2(3)5/h1H3,(H,4,5)
(5)Std. InChIKey: GRRYSIXDUIAUGY-UHFFFAOYSA-N

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