Chloromethyl chlorosulfate supplier

Name
Chloromethyl chlorosulfate
EINECS 256-442-1
CAS No. 49715-04-0
Article Data13
CAS DataBase
Density 1.733 g/cm³
Solubility reacts
Melting Point
Formula CH₂Cl₂O₃S
Boiling Point 192.6 °C at 760 mmHg
Molecular Weight 164.997
Flash Point 70.3 °C
Transport Information UN 1760 8/PG 3
Appearance Clear colourless to yellow liquid
Safety 26-36/37/39-45-28A
Risk Codes 22-34-26
Molecular Structure
Hazard Symbols C; T+
Synonyms Chloromethoxysulfonylchloride;Chlorosulfuric acid (HSO3), chloromethyl ester;
PSA 51.75000
LogP 1.76370

Synthetic route

: 75-09-2
dichloromethane

A: 49715-04-0
chlorosulfuric acid chloromethyl ester

B: 92975-18-3
[(chlorosulfonyl)oxy]methyl sulfurochloridate

Conditions

Conditions	Yield
With sulfuric acid; boron tribromide at 20 - 30℃; for 4h; Temperature;	A 85% B 12%

: 75-09-2
dichloromethane

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
With Trimethyl borate; sulfur trioxide at 20℃; for 0.166667h;	33%
With chlorosulfonic acid at 60 - 130℃;

: 50-00-0
formaldehyd

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
Stage #1: formaldehyd With chlorosulfonic acid at 20 - 80℃; Stage #2: With thionyl chloride at 60℃; Product distribution / selectivity;	30%
With chlorosulfonic acid at 70℃; und Destillation unter ca.13 mm Druck;

: 74-97-5
chlorobromomethane

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
With chlorosulfonic acid for 3h; Heating;	30%
With chlorosulfonic acid for 3h; Heating;	30%

: 50-00-0
formaldehyd

A: 49715-04-0
chlorosulfuric acid chloromethyl ester

B: 56639-44-2
[1,3,2]dioxathietane-2,2-dioxide

Conditions

Conditions	Yield
With chlorosulfonic acid

: 542-88-1
bis(2-chloromethyl)ether

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
With chlorosulfonic acid at 70℃;
With sulfur trioxide durch Destillation das hergestellten Gemisch unter 28 mm Druck;

: 73455-05-7
bischloromethyl sulfate

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
With chlorosulfonic acid at 70 - 80℃;

: 73455-05-7
bischloromethyl sulfate

A: 49715-04-0
chlorosulfuric acid chloromethyl ester

B: 56639-44-2
[1,3,2]dioxathietane-2,2-dioxide

Conditions

Conditions	Yield
With chlorosulfonic acid at 70 - 80℃;

: 20757-83-9
[1,3,5,7,2,6]tetroxadithiocane 2,2,6,6-tetraoxide

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
With chlorosulfonic acid bei der Destillation unter 12 mm Druck;

: 22128-62-7
carbonochloridic acid, chloromethyl ester

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
With chlorosulfonic acid at 100℃;

: 7790-94-5
chlorosulfonic acid

: 22128-62-7
carbonochloridic acid, chloromethyl ester

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
zuletzt unter Erwaermen auf dem Wasserbad;

: 7790-94-5
chlorosulfonic acid

: 542-88-1
bis(2-chloromethyl)ether

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
at 70℃; und nachfolgenden Destillieren unter 14 mm Druck;

: 7790-94-5
chlorosulfonic acid

: 56639-44-2
[1,3,2]dioxathietane-2,2-dioxide

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
under 12 Torr;

: 7790-94-5
chlorosulfonic acid

: 75-09-2
dichloromethane

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
at 60 - 130℃;

: 73455-05-7
bischloromethyl sulfate

chlorosulfonic acid (9 mol): chlorosulfonic acid (9 mol)

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
at 70 - 80℃;

: 7790-94-5
chlorosulfonic acid

: 542-88-1
bis(2-chloromethyl)ether

A: 49715-04-0
chlorosulfuric acid chloromethyl ester

B: 73455-05-7
bischloromethyl sulfate

Conditions

Conditions	Yield
at 70℃; beim Ausgiessen des erhaltenen Reaktionsprodukts auf Eis und folgender Vakuumdestillation;

...Expand

: 542-88-1
bis(2-chloromethyl)ether

: 7446-11-9
sulfur trioxide

A: 49715-04-0
chlorosulfuric acid chloromethyl ester

B: 73455-05-7
bischloromethyl sulfate

Conditions

Conditions	Yield
under 28 Torr; bei der Destillation;

...Expand

: 73455-05-7
bischloromethyl sulfate

chlorosulfonic acid (1.4 mol): chlorosulfonic acid (1.4 mol)

A: 49715-04-0
chlorosulfuric acid chloromethyl ester

B: 20757-83-9
[1,3,5,7,2,6]tetroxadithiocane 2,2,6,6-tetraoxide

Conditions

Conditions	Yield
at 70 - 80℃;

...Expand

: 593-71-5
Chloroiodomethane

: 49715-04-0
chlorosulfuric acid chloromethyl ester

Conditions

Conditions	Yield
With chlorosulfonic acid; thionyl chloride; sodium hydroxide In dichloromethane; water at 20 - 35℃; for 7.5h; Inert atmosphere;

: 593-71-5
Chloroiodomethane

A: 49715-04-0
chlorosulfuric acid chloromethyl ester

B: 73455-05-7
bischloromethyl sulfate

Conditions

Conditions	Yield
With chlorosulfonic acid In dichloromethane at 0 - 21℃; for 18h; Temperature; Solvent; Reagent/catalyst; Inert atmosphere;

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 13734-41-3
t-Boc-L-valine

: 40224-39-3
N-tert-butyloxycarbonyl-L-valine chloromethyl ester

Conditions

Conditions	Yield
Stage #1: t-Boc-L-valine With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 0℃; for 0.166667h; Stage #2: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 0 - 20℃; for 19.3333h;	100%
With tetra(n-butyl)ammonium hydrogensulfate; sodium carbonate In dichloromethane; water at 0 - 20℃; for 19.33h;	100%
Stage #1: t-Boc-L-valine With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃; for 0.0833333h; Stage #2: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 0 - 20℃; for 2h;	99%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 51077-16-8
N-(tert-butoxycarbonyl)-(R)-thiazolidine-4-carboxylic acid

: (R)-Thiazolidine-3,4-dicarboxylic acid 3-tert-butyl ester 4-chloromethyl ester

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	100%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 107-92-6
butyric acid

: 33657-49-7
chloromethyl n-butyrate

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium hydrogencarbonate In dichloromethane; water at 20℃; for 16h;	100%
With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate In dichloromethane; water at 20℃; for 4h; Inert atmosphere;	58%
With sodium hydrogencarbonate; tetra(n-butyl)ammonium hydrogen sulfate In dichloromethane; water	41%
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 0℃; for 1h;	31%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 42017-89-0
fenofibric acid

: 1094101-30-0
chloromethyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate

Conditions

Conditions	Yield
Stage #1: fenofibric acid With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In water at 20℃; for 0.25h; Stage #2: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 20℃; Cooling with ice;	100%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 13139-15-6
N-tert-butoxycarbonyl-L-leucine

: 70579-73-6
(S)-chloromethyl 2-((tert-butoxycarbonyl)amino)-4-methylvalerate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	99%
Stage #1: N-tert-butoxycarbonyl-L-leucine With sodium hydrogencarbonate In water for 0.166667h; Stage #2: With tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water for 0.166667h; Stage #3: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 20℃; for 15h; Cooling with ice;	98.4%
Stage #1: N-tert-butoxycarbonyl-L-leucine With sodium hydrogencarbonate In water for 0.166667h; Stage #2: With tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water for 0.166667h; Stage #3: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 20℃; for 15h; Cooling with ice;	98.4%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 34573-39-2
L-tert-butyl 1-(chloromethoxycarbonyl)-2-phenylethylcarbamate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 0 - 20℃;	99%
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	83%
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃;

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 1421487-17-3
C24H46O8

: 1421487-06-0
MR27

Conditions

Conditions	Yield
Stage #1: C24H46O8 With tetra(n-butyl)ammonium hydrogensulfate; sodium carbonate In water at 20℃; for 0.333333h; Reflux; Inert atmosphere; Stage #2: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 0 - 20℃; for 19h;	99%
With tetra(n-butyl)ammonium hydrogensulfate; sodium carbonate In dichloromethane; water at 0 - 20℃; for 19h;	2.19 g

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 3160-59-6, 4276-05-5, 28862-89-7, 55723-45-0, 55723-48-3, 127866-12-0
N-benzyloxycarbonyl-L-isoleucine

: (S)-2-Benzyloxycarbonylamino-3-methyl-pentanoic acid chloromethyl ester

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	98%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: (S)-2-tert-Butoxycarbonylamino-malonic acid mono-tert-butyl ester

: (S)-2-tert-Butoxycarbonylamino-malonic acid tert-butyl ester chloromethyl ester

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	98%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 18942-49-9
Boc-D-Phe-OH

: 1051916-41-6
D-tert-butyl 1-(chloromethoxycarbonyl)-2-phenylethylcarbamate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 0 - 20℃;	97%

: 15761-39-4
1-(tert-butoxycarbonyl)-L-proline

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 34614-72-7
(S)-tert-butyl chloromethyl pyrrolidine-1,2-dicarboxylate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	96%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 1161-13-3
N-Cbz-L-Phe

: (S)-2-Benzyloxycarbonylamino-3-phenyl-propionic acid chloromethyl ester

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	96%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 84358-13-4
N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

: 150109-49-2
1-tert-butyl 4-(chloromethyl)piperidine-1,4-dicarboxylate

Conditions

Conditions	Yield
Stage #1: N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 0℃; for 0.166667h; Stage #2: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 0 - 20℃;	96%
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	92%
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃; for 5h;	86%
With sodium hydrogencarbonate; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water at 20℃; for 0.5h;
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃; for 5h;

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 88950-64-5
1-<(tert-butyloxy)carbonylamino>cyclopropane-1-carboxylic acid

: 1581704-70-2
1-[[(1,1-dimethylethoxy)carbonyl]amino]cyclopropanecarboxylic acid chloromethyl ester

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃; Cooling with ice;	96%
With tetra(n-butyl)ammonium hydrogensulfate; sodium carbonate In dichloromethane; water at 0 - 20℃;	73.3%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 15761-38-3
L-N-Boc-Ala

: 150109-42-5
N-[(1,1-dimethylethoxy)carbonyl]-L-alanine chloromethyl ester

Conditions

Conditions	Yield
Stage #1: L-N-Boc-Ala With sodium hydrogencarbonate In water for 0.5h; Stage #2: With tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water for 0.333333h; Stage #3: chlorosulfuric acid chloromethyl ester In dichloromethane; water for 15h;	95.5%
Stage #1: L-N-Boc-Ala With sodium hydrogencarbonate In water for 0.5h; Stage #2: With tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water for 0.333333h; Stage #3: chlorosulfuric acid chloromethyl ester In dichloromethane; water for 15h;	95.5%
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	94%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 33494-80-3
potassium di-tert-butylphosphate

: 229625-50-7
di-tert-butyl chloromethyl phosphate

Conditions

Conditions	Yield
Stage #1: potassium di-tert-butylphosphate With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 0℃; for 0.166667h; Stage #2: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 20℃; for 20h;	95.3%
With potassium hydrogenphosphate trihydrate; tert-butyl methyl ether; tetra(n-butyl)ammonium hydrogensulfate In water at 0 - 20℃; for 2.41667h;	94%
With potassium hydrogenphosphate trihydrate; tetra(n-butyl)ammonium hydrogensulfate In tert-butyl methyl ether; water at 0 - 30℃; for 2.41667h;	94%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 57133-29-6
(S)-2,5-bis((tert-butoxycarbonyl)amino)pentanoic acid

: (S)-2,5-Bis-tert-butoxycarbonylamino-pentanoic acid chloromethyl ester

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	95%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

: chloromethyl 2-(2-((2,6-dichlorophenyl)amino)phenyl)acetate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃; for 1h;	95%
With Bu4HSO4 In dichloromethane; water at 20℃; for 1h;

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 764639-63-6
(3R,4R,5S)-4-acetamido-5-[(tert-butoxycarbonyl)-amino]-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid

: C20H33ClN2O6

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃; for 3h;	95%
Stage #1: (3R,4R,5S)-4-acetamido-5-[(tert-butoxycarbonyl)-amino]-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water for 0.5h; Stage #2: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 20℃; for 5h;

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 4-((bis(benzyloxy)phosphoryl)oxy)-3-methoxybenzoic acid

: chloromethyl 4-((bis (benzyloxy)phosphoryl)oxy)-3-methoxy benzoate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 0 - 20℃; for 16h;	95%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 15687-27-1
ibuprofen

: 135922-50-8
chloromethyl 2-(4-isobutylphenyl)propanoate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium carbonate In dichloromethane; water at 30℃; for 0.5h;	94%
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane at 25℃; for 1h;	50%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 4593-90-2, 772-15-6
(S)-2-phenylbutanoic acid

: 909785-77-9
(S)-chloromethyl 3-phenylbutanoate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃;	94%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 62965-35-9
N-tert-butyloxycarbonyl-L-tert-leucine

: N-[(1,1-dimethylethoxy)carbonyl]-L-tert-leucine chloromethyl ester

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃; Cooling with ice;	94%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 180181-02-6
3-(tert-Butoxycarbonyl)amino-2,2-dimethylpropanoic Acid

: 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethylpropanoic acid chloromethyl ester

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃; Cooling with ice;	94%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-methylbutanoic acid

: 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-methylbutanoic acid chloromethyl ester

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane at 20℃; Cooling with ice;	94%

: 4530-20-5
BOC-glycine

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 34573-36-9
N-[(1,1-dimethylethoxy)carbonyl]glycine chloromethyl ester

Conditions

Conditions	Yield
Stage #1: BOC-glycine With sodium hydrogencarbonate In water for 0.5h; Stage #2: With tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water for 0.333333h; Stage #3: chlorosulfuric acid chloromethyl ester In dichloromethane; water for 15h;	93.7%
Stage #1: BOC-glycine With sodium hydrogencarbonate In water for 0.5h; Stage #2: With tetra(n-butyl)ammonium hydrogensulfate In dichloromethane for 0.333333h; Stage #3: chlorosulfuric acid chloromethyl ester In dichloromethane for 15h;	93.8%
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	87%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 13734-36-6
N-(tert-butoxycarbonyl)sarcosine

: chloromethyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water Ambient temperature;	93%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 35264-09-6
1-(tert-butoxycarbonylamino)cyclopentanecarboxylic acid

: 1-[[(1,1-dimethylethoxy)carbonyl]amino]cyclopentane carboxylic acid chloromethyl ester

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃; Cooling with ice;	93%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 204514-22-7
1-(<<(tert-butoxy)carbonyl>amino>methyl)cyclopentane-1-carboxylic acid

: 1-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]cyclopentane carboxylic acid chloromethyl ester

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃; Cooling with ice;	93%

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 45022-27-3, 120515-28-8, 135355-96-3
(E)-3-t-butoxycarbonyl-2-butenoic acid

: tert-butyl chloromethyl (2E)-but-2-enedioate

Conditions

Conditions	Yield
Stage #1: (E)-3-t-butoxycarbonyl-2-butenoic acid With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 0℃; for 0.166667h; Stage #2: chlorosulfuric acid chloromethyl ester In dichloromethane; water for 16h;	93%

Chloromethyl chlorosulfate Specification

The Chloromethyl chlorosulfate, with the CAS registry number 49715-04-0 and EINECS registry number 256-442-1, has the systematic name of chloromethyl chlorosulfate. And the molecular formula of this chemical is CH₂Cl₂O₃S. It is a kind of clear colourless to yellow liquid, and belongs to the product category of API intermediates. What's more, it should be stored in 2-8°C.

The physical properties of Chloromethyl chlorosulfate are as following: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.94; (6)ACD/BCF (pH 7.4): 2.94; (7)ACD/KOC (pH 5.5): 75.33; (8)ACD/KOC (pH 7.4): 75.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.75 Å²; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 26.89 cm³; (15)Molar Volume: 95.2 cm³; (16)Polarizability: 10.66×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.733 g/cm³; (19)Flash Point: 70.3 °C; (20)Enthalpy of Vaporization: 41.13 kJ/mol; (21)Boiling Point: 192.6 °C at 760 mmHg; (22)Vapour Pressure: 0.675 mmHg at 25°C.

Uses of Chloromethyl chlorosulfate: It can react with N-tert-butoxycarbonyl-glycine to produce N-tert-butoxycarbonyl-glycine chloromethyl ester. This reaction will need reagents NaHCO₃ and n-Bu₄NHSO₄, and the solvent H₂O and CH₂Cl₂. And the yield is about 87%.

Chloromethyl chlorosulfate can react with N-tert-butoxycarbonyl-glycine to produce N-tert-butoxycarbonyl-glycine chloromethyl ester

You should be cautious while dealing with this chemical. It may cause burns, and harmful if swallowed. It is also very toxic by inhalation. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)OCCl
(2)InChI: InChI=1/CH2Cl2O3S/c2-1-6-7(3,4)5/h1H2
(3)InChIKey: PJBIHXWYDMFGCV-UHFFFAOYAR

Product Name

Chloromethyl chlorosulfate

Synthetic route

Chloromethyl chlorosulfate Specification

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