Product Name

  • Name

    Pentyl chloroformate

  • EINECS 211-336-4
  • CAS No. 638-41-5
  • Article Data11
  • CAS DataBase
  • Density 1.057 g/cm3
  • Solubility 1.213g/L at 25℃
  • Melting Point
  • Formula C6H11ClO2
  • Boiling Point 164.9 °C at 760 mmHg
  • Molecular Weight 150.605
  • Flash Point 47.7 °C
  • Transport Information
  • Appearance
  • Safety 26-36-45
  • Risk Codes 10-23-34
  • Molecular Structure Molecular Structure of 638-41-5 (Pentyl chloroformate)
  • Hazard Symbols C
  • Synonyms Formicacid, chloro-, pentyl ester (6CI,7CI,8CI);Amyl chloroformate;Chloroformicacid amyl ester;Chloroformic acid pentyl ester;NSC 7913;Pentylchloroformate;Pentyloxycarbonyl chloride;n-Pentyl chloroformate;
  • PSA 26.30000
  • LogP 2.55200

Synthetic route

pentan-1-ol
71-41-0

pentan-1-ol

bis(trichloromethyl) carbonate
32315-10-9

bis(trichloromethyl) carbonate

pentyl chloroformate
638-41-5

pentyl chloroformate

Conditions
ConditionsYield
With pyridine In dichloromethane at 20℃; for 2h;85.6%
With triethylamine In tetrahydrofuran at 0 - 20℃; for 1h;
With triethylamine In tetrahydrofuran at 0 - 20℃; for 6.25h; Inert atmosphere;
phosgene
75-44-5

phosgene

pentan-1-ol
71-41-0

pentan-1-ol

pentyl chloroformate
638-41-5

pentyl chloroformate

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane at 20℃; Rate constant; Mechanism; var. conc., without HCl;
pentyl chloroformate
638-41-5

pentyl chloroformate

1-t-Butoxycarbonylpiperazine
57260-71-6

1-t-Butoxycarbonylpiperazine

piperazine-1,4-dicarboxylic acid tert-butyl ester pentyl ester

piperazine-1,4-dicarboxylic acid tert-butyl ester pentyl ester

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃;100%
pentyl chloroformate
638-41-5

pentyl chloroformate

C39H32FN3O8

C39H32FN3O8

C45H42FN3O10

C45H42FN3O10

Conditions
ConditionsYield
With pyridine In dichloromethane at -15 - 0℃;99.1%
pentyl chloroformate
638-41-5

pentyl chloroformate

amyl azidoformate

amyl azidoformate

Conditions
ConditionsYield
With sodium azide In acetone at 20℃;98%
5-[1-(4-aminobenzyl)-8-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-5-ylmethyl]thiazolidine-2,4-dione
882007-15-0

5-[1-(4-aminobenzyl)-8-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-5-ylmethyl]thiazolidine-2,4-dione

pentyl chloroformate
638-41-5

pentyl chloroformate

5-[1-(4-pentyloxycarbonylaminobenzyl)-8-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-5-ylmethyl]thiazolidine-2,4-dione

5-[1-(4-pentyloxycarbonylaminobenzyl)-8-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-5-ylmethyl]thiazolidine-2,4-dione

Conditions
ConditionsYield
With pyridine In dichloromethane at 0℃; for 1h;97%
pentyl chloroformate
638-41-5

pentyl chloroformate

2,2,4,4-Tetramethyl-1,3-oxazolidine
57822-91-0

2,2,4,4-Tetramethyl-1,3-oxazolidine

pentyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

pentyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

Conditions
ConditionsYield
With sodium carbonate In dichloromethane at 20℃; for 5h;96%
Flucytosine
2022-85-7

Flucytosine

pentyl chloroformate
638-41-5

pentyl chloroformate

(5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamic acid amyl ester
862508-03-0

(5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamic acid amyl ester

Conditions
ConditionsYield
With pyridine; tetrabutylammomium bromide In dichloromethane at 20℃; for 1.5h; Reagent/catalyst;96%
With pyridine In dichloromethane at -10 - 20℃; for 2h; Concentration; Inert atmosphere;94.3%
With pyridine75%
With tetra(n-butyl)ammonium hydrogensulfate; triethylamine In chloroform; water at 5 - 10℃; for 1h;300 g
pentyl chloroformate
638-41-5

pentyl chloroformate

5-chloro-N2-{5-methyl-4-(piperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
1032900-25-6

5-chloro-N2-{5-methyl-4-(piperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine

pentyl 4-(4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-5-isopropoxy-2-methylphenyl)piperidine-1-carboxylate

pentyl 4-(4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-5-isopropoxy-2-methylphenyl)piperidine-1-carboxylate

Conditions
ConditionsYield
With dmap In dichloromethane at 20℃;96%
pentyl chloroformate
638-41-5

pentyl chloroformate

(2R,3R,4R,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyl-tetrahydrofuran-3,4-diyl diacetate
161599-46-8

(2R,3R,4R,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyl-tetrahydrofuran-3,4-diyl diacetate

N1-(2',3'-di-O-acetyl-5'-deoxy-β-D-ribofuranosyl)-5-fluoro-N4-(pentyloxycarbonyl)cytosine
162204-20-8

N1-(2',3'-di-O-acetyl-5'-deoxy-β-D-ribofuranosyl)-5-fluoro-N4-(pentyloxycarbonyl)cytosine

Conditions
ConditionsYield
With potassium phosphate In dichloromethane; isopropyl alcohol at 0 - 25℃; for 4h; Reagent/catalyst; Inert atmosphere;94.2%
With pyridine In dichloromethane at 0℃; for 1h;93%
With dmap; potassium carbonate In dichloromethane at 5℃; for 0.75h; Temperature; Solvent; Reagent/catalyst;90.6%
pentyl chloroformate
638-41-5

pentyl chloroformate

2,3,4,5,6-pentafluorophenol
771-61-9

2,3,4,5,6-pentafluorophenol

pentyloxycarbonyl-pentafluorophenoxy
1332927-90-8

pentyloxycarbonyl-pentafluorophenoxy

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran at 0 - 5℃; for 2.5h;94%
pentyl chloroformate
638-41-5

pentyl chloroformate

2',3'-isopropylidene adenosine
362-75-4

2',3'-isopropylidene adenosine

2',3'-O-isopropylidene-5'-O-pentyloxycarbonyladenosine

2',3'-O-isopropylidene-5'-O-pentyloxycarbonyladenosine

Conditions
ConditionsYield
With dmap In acetonitrile at 20℃; for 4h; Cooling with ice; Inert atmosphere;93%
3,6-di-n-propyl-1,6-dihydro-s-tetrazine
13717-88-9

3,6-di-n-propyl-1,6-dihydro-s-tetrazine

pentyl chloroformate
638-41-5

pentyl chloroformate

3,6-dipropyl-6H-[1,2,4,5]tetrazine-1-carboxylic acid pentyl ester

3,6-dipropyl-6H-[1,2,4,5]tetrazine-1-carboxylic acid pentyl ester

Conditions
ConditionsYield
92.9%
D-Threonine
632-20-2

D-Threonine

pentyl chloroformate
638-41-5

pentyl chloroformate

(2R,3S)-3-hydroxy-2-{[(pentyloxy)carbonyl]amino}butanoic acid
1439367-11-9

(2R,3S)-3-hydroxy-2-{[(pentyloxy)carbonyl]amino}butanoic acid

Conditions
ConditionsYield
With tetrabutylammomium bromide; sodium hydrogencarbonate In tetrahydrofuran; water at 20℃; for 18h;90%
With tetrabutylammomium bromide; sodium hydrogencarbonate In tetrahydrofuran; water at 20℃; for 18h;90%
With tetrabutylammomium bromide; sodium hydrogencarbonate In tetrahydrofuran; water at 20℃; for 18h;90%
3,6-dimethyl-1,6-dihydro-1,2,4,5-tetrazine
13717-81-2

3,6-dimethyl-1,6-dihydro-1,2,4,5-tetrazine

pentyl chloroformate
638-41-5

pentyl chloroformate

3,6-dimethyl-6H-[1,2,4,5]tetrazine-1-carboxylic acid pentyl ester

3,6-dimethyl-6H-[1,2,4,5]tetrazine-1-carboxylic acid pentyl ester

Conditions
ConditionsYield
89.4%
4-nitro-phenol
100-02-7

4-nitro-phenol

pentyl chloroformate
638-41-5

pentyl chloroformate

4-nitrophenyl n-pentyl carbonate
67036-14-0

4-nitrophenyl n-pentyl carbonate

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 5℃; for 2.5h;89%
pentyl chloroformate
638-41-5

pentyl chloroformate

2'3'-O-isopropylidene-5'-deoxy-5-fluorocytidine

2'3'-O-isopropylidene-5'-deoxy-5-fluorocytidine

2'3'-O-isopropylidene-5'-deoxy-5-fluoro-N4-(pentyloxycarbonyl)cytidine

2'3'-O-isopropylidene-5'-deoxy-5-fluoro-N4-(pentyloxycarbonyl)cytidine

Conditions
ConditionsYield
With pyridine In dichloromethane at -5 - 5℃; for 0.5h;88.2%
pentyl chloroformate
638-41-5

pentyl chloroformate

4,4'-diamino diphenyl methane
101-77-9

4,4'-diamino diphenyl methane

dipentyl(methylene)bis(4,1-phenylene)dicarbamate
102894-35-9

dipentyl(methylene)bis(4,1-phenylene)dicarbamate

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 50℃; for 4h;88%
PD 0332991
571190-30-2

PD 0332991

pentyl chloroformate
638-41-5

pentyl chloroformate

pentyl 4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate

pentyl 4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate

Conditions
ConditionsYield
With dmap In dichloromethane at 0 - 20℃;87%
pentyl chloroformate
638-41-5

pentyl chloroformate

methyl (3-(5-chloro-2-(2-chloro-4-(N-(2,4-dimethoxybenzyl)-N-(thiazol-2-yl) sulfamoyl)-5-fluorophenoxy)phenyl)propyl)glycinate

methyl (3-(5-chloro-2-(2-chloro-4-(N-(2,4-dimethoxybenzyl)-N-(thiazol-2-yl) sulfamoyl)-5-fluorophenoxy)phenyl)propyl)glycinate

methyl N-(3-(5-chloro-2-(2-chloro-4-(N-(2,4-dimethoxybenzyl)-N-(thiazol-2-yl)sulfamoyl)-5-fluorophenoxy)phenyl)propyl)-N-((pentyloxy)carbonyl)glycinate

methyl N-(3-(5-chloro-2-(2-chloro-4-(N-(2,4-dimethoxybenzyl)-N-(thiazol-2-yl)sulfamoyl)-5-fluorophenoxy)phenyl)propyl)-N-((pentyloxy)carbonyl)glycinate

Conditions
ConditionsYield
Stage #1: methyl (3-(5-chloro-2-(2-chloro-4-(N-(2,4-dimethoxybenzyl)-N-(thiazol-2-yl) sulfamoyl)-5-fluorophenoxy)phenyl)propyl)glycinate With triethylamine In dichloromethane at 20℃; for 0.166667h;
Stage #2: pentyl chloroformate In dichloromethane at 80℃; for 12h;		86.9%
With triethylamine In dichloromethane at 80℃; for 12h;0.6 g
pentyl chloroformate
638-41-5

pentyl chloroformate

5'-deoxy-5-fluorocytidine
66335-38-4

5'-deoxy-5-fluorocytidine

C15H20FN3O7S
1309454-52-1

C15H20FN3O7S

Conditions
ConditionsYield
Stage #1: 5'-deoxy-5-fluorocytidine With pyridine; thionyl chloride In acetonitrile at -5 - 0℃;
Stage #2: pentyl chloroformate In acetonitrile at -5 - 20℃;		85%
pentyl chloroformate
638-41-5

pentyl chloroformate

C9H10FN3O5S
1309454-51-0

C9H10FN3O5S

C15H20FN3O7S
1309454-52-1

C15H20FN3O7S

Conditions
ConditionsYield
With pyridine In dichloromethane at -5 - 20℃;85%
7-bromo-pyrrolo[2,1-f][1,2,4]triazin-4-ylamine
937046-98-5

7-bromo-pyrrolo[2,1-f][1,2,4]triazin-4-ylamine

pentyl chloroformate
638-41-5

pentyl chloroformate

pentyl (7-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate

pentyl (7-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate

Conditions
ConditionsYield
With pyridine In dichloromethane for 5h; Cooling with ice;85%
pentyl chloroformate
638-41-5

pentyl chloroformate

benzotriazol-1-ol
2592-95-2

benzotriazol-1-ol

pentyloxycarbonyl-1-hydroxybenzotriazole

pentyloxycarbonyl-1-hydroxybenzotriazole

Conditions
ConditionsYield
Stage #1: benzotriazol-1-ol With triethylamine In tetrahydrofuran at 0 - 5℃; for 0.25h;
Stage #2: pentyl chloroformate In tetrahydrofuran for 1.5h;		84%
pentyl chloroformate
638-41-5

pentyl chloroformate

2-amino-6-bromoquinoline
791626-58-9

2-amino-6-bromoquinoline

pentyl N-(6-bromo-2-quinolyl)carbamate

pentyl N-(6-bromo-2-quinolyl)carbamate

Conditions
ConditionsYield
With 1-methyl-1H-imidazole In dichloromethane at 0 - 25℃; for 12h;84%
pentyl chloroformate
638-41-5

pentyl chloroformate

2-amino-1H-imidazole-4,5-dicarbonitrile
40953-34-2

2-amino-1H-imidazole-4,5-dicarbonitrile

2-amino-4,5-dicyano-imidazole-1-carboxylic acid pentyl ester
59717-41-8

2-amino-4,5-dicyano-imidazole-1-carboxylic acid pentyl ester

Conditions
ConditionsYield
With triethylamine In methanol; acetonitrile83%
pentyl chloroformate
638-41-5

pentyl chloroformate

(2R,3R,4R,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyl-tetrahydrofuran-3,4-diyl diacetate
161599-46-8

(2R,3R,4R,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyl-tetrahydrofuran-3,4-diyl diacetate

capecitabine
154361-50-9

capecitabine

Conditions
ConditionsYield
With sodium hydroxide In water; acetone at 30℃; for 5h; Green chemistry;82%
Stage #1: pentyl chloroformate; (2R,3R,4R,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyl-tetrahydrofuran-3,4-diyl diacetate With pyridine In dichloromethane at 0℃; for 1h;
Stage #2: With sodium hydroxide In ethanol; water at -5 - 0℃; for 0.233333h;		80.2%
Multi-step reaction with 2 steps
1: dichloromethane
2: sodium hydroxide / methanol
View Scheme
Multi-step reaction with 2 steps
1: pyridine / dichloromethane / 1 h / 0 °C
2: sodium methylate / methanol / 1 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: potassium phosphate / isopropyl alcohol; dichloromethane / 4 h / 0 - 25 °C / Inert atmosphere
2: sodium hydroxide / methanol; water / 1 h / -10 - 5 °C / Autoclave
View Scheme
pentyl chloroformate
638-41-5

pentyl chloroformate

5'-deoxy-5-fluorocytidine
66335-38-4

5'-deoxy-5-fluorocytidine

capecitabine
154361-50-9

capecitabine

Conditions
ConditionsYield
Stage #1: 5'-deoxy-5-fluorocytidine With pyridine; thionyl chloride In acetonitrile at -5 - 0℃;
Stage #2: pentyl chloroformate In acetonitrile at -5 - 20℃;		80%
β-D-(2'S)-2'-deoxy-2'-fluoro-2'-C-methylcytidine

β-D-(2'S)-2'-deoxy-2'-fluoro-2'-C-methylcytidine

pentyl chloroformate
638-41-5

pentyl chloroformate

β-D-(2'S)-2'-deoxy-2'-fluoro-2'-methyl-N4-pentyloxycarbonylcytidine

β-D-(2'S)-2'-deoxy-2'-fluoro-2'-methyl-N4-pentyloxycarbonylcytidine

Conditions
ConditionsYield
With chloro-trimethyl-silane In pyridine at 20℃;78%
4-(4-{6-amino-5-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-3-yl}-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester

4-(4-{6-amino-5-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-3-yl}-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester

pentyl chloroformate
638-41-5

pentyl chloroformate

C32H40Cl2FN5O5

C32H40Cl2FN5O5

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃; for 1h;78%
pentyl chloroformate
638-41-5

pentyl chloroformate

mitomycin-C
69515-74-8, 628317-17-9

mitomycin-C

N1a-<(pentyloxy)carbonyl>mitomycin C
88700-50-9

N1a-<(pentyloxy)carbonyl>mitomycin C

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran for 0.25h;77%

Pentyl chloroformate Chemical Properties

Molecule structure of Carbonochloridic acid,pentyl ester (CAS NO.638-41-5):

IUPAC Name: Pentyl carbonochloridate 
Molecular Weight: 150.60334 g/mol
Molecular Formula: C6H11ClO2 
Density: 1.057 g/cm3
Boiling Point: 164.9 °C at 760 mmHg 
Flash Point: 47.7 °C
Index of Refraction: 1.425
Molar Refractivity: 36.47 cm3
Molar Volume: 142.4 cm3
Surface Tension: 30.2 dyne/cm  
Enthalpy of Vaporization: 40.14 kJ/mol
Vapour Pressure: 1.92 mmHg at 25 °C 
Storage Temp.: refrigerator
XLogP3: 3
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Exact Mass: 150.044757
MonoIsotopic Mass: 150.044757
Topological Polar Surface Area: 26.3
Heavy Atom Count: 9
Canonical SMILES: CCCCCOC(=O)Cl
InChI: InChI=1S/C6H11ClO2/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3
InChIKey: XHRRYUDVWPPWIP-UHFFFAOYSA-N
EINECS of Carbonochloridic acid,pentyl ester (CAS NO.638-41-5): 211-336-4

Pentyl chloroformate Safety Profile

Risk Statements: 10-23-34
R10:Flammable. 
R23 :Toxic by inhalation. 
R34:Causes burns.
Safety Statements: 26-36-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 3277

Pentyl chloroformate Specification

 Carbonochloridic acid,pentyl ester (CAS NO.638-41-5) is also named as Amyl chloroformate ; Chloroformic acid amyl ester ; NSC 7913 ; Pentyl chloroformate ; Formic acid, chloro-, pentyl ester (8CI) .

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