Conditions | Yield |
---|---|
With hydrogenchloride; benzenesulfonic acid In water at 50 - 90℃; for 13h; Large scale; | 96% |
With hydrogenchloride at 150 - 170℃; | 60% |
With disulfur dichloride at 100℃; |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; lithium perchlorate In acetonitrile for 0.666667h; | 87% |
1-(t-Butyldimethylsilyloxy)-3-chloro-propane
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
With zinc tetrafluoroborate In water for 16h; Ambient temperature; | 85% |
Conditions | Yield |
---|---|
With lithium borohydride; Trimethyl borate In diethyl ether for 0.5h; Heating; | 84% |
With lithium borohydride; Trimethyl borate In diethyl ether for 0.5h; Heating; | 84% |
With Ν,Ν-dimethylethylamine alane In tetrahydrofuran; toluene at 0℃; for 0.25h; | 99 % Chromat. |
With lithium aluminium tetrahydride In diethyl ether 1.) 0 deg C, 30 min, 2.) 3 h, room temp.; |
Conditions | Yield |
---|---|
With tetrachloromethane; triphenylphosphine In acetonitrile Product distribution; Mechanism; | A 16% B 75% |
With hydrogenchloride at 100℃; | |
With hydrogenchloride | |
With tert-butylhypochlorite; triphenylphosphine In chloroform Product distribution; 1.) -70 deg C, 2.) RT, 3.) reflux, 24 h; |
Conditions | Yield |
---|---|
hexacarbonyl molybdenum at 140℃; for 6h; | A 27% B 73% |
Conditions | Yield |
---|---|
With diethyl ether |
trimethylene oxide
tert-butylmagnesium chloride
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
With diethyl ether |
Conditions | Yield |
---|---|
With hydrogenchloride; water; zinc(II) chloride under 44130.5 - 51485.6 Torr; |
potassium acetate
acetic acid
1,3-chlorobromopropane
A
1,3-diacetoxypropane
B
3-Chloropropyl acetate
C
3-bromopropyl acetate
D
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; diethyl ether |
trimethyleneglycol
A
bis(3-hydroxypropyl)ether
B
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
With hydrogenchloride at 100℃; wurde ueber das Diacetat gereinigt; |
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
(i) bis-(2-methyl-butyl)-borane, THF, H2O2, (ii) aq. NaOH; Multistep reaction; |
2,2,2-trifluoroethanol
{4-[1-(3-Chloro-propoxy)-ethyl]-phenyl}-dimethyl-amine; compound with perchloric acid
B
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
With sodium perchlorate In water at 25℃; Equilibrium constant; |
2,2,2-trifluoroethanol
1-(1-(3-chloropropoxy)ethyl)-4-methoxybenzene
A
1-(4-methoxyphenyl)ethyl trifluoroethyl ether
B
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
With sodium perchlorate In water at 25℃; Equilibrium constant; |
Conditions | Yield |
---|---|
With water; triethylamine In ethanol at 125℃; Kinetics; further temperatures, further solvent, activation enthalpy and entropy; | |
With haloalkane dehalogenase from Xanthobacter autotrophicus GJ10; water In aq. phosphate buffer at 30℃; pH=8; Reagent/catalyst; Enzymatic reaction; |
{4-[1-(3-Chloro-propoxy)-ethyl]-phenyl}-dimethyl-amine; compound with perchloric acid
B
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
With sodium perchlorate; water at 25℃; Equilibrium constant; |
1-(1-(3-chloropropoxy)ethyl)-4-methoxybenzene
A
rac-1-(4-methoxyphenyl)-ethanol
B
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
With sodium perchlorate; water at 25℃; Equilibrium constant; |
Conditions | Yield |
---|---|
With sodium hydroxide; 9-borabicyclo[3.3.1]nonane dimer; dihydrogen peroxide Product distribution; 1) THF, 25 deg C, 2 h; | A 1 % Chromat. B 93 % Chromat. |
Conditions | Yield |
---|---|
With zinc(II) tetrahydroborate; silica gel In tetrahydrofuran for 24h; Product distribution; Ambient temperature; other epoxides; | |
With zinc(II) tetrahydroborate; silica gel In tetrahydrofuran for 24h; Ambient temperature; Yield given. Yields of byproduct given; | |
With zeolite supported zinc borohydride In tetrahydrofuran at 20℃; for 12h; Yield given. Yields of byproduct given; | |
With hydrogen; palladium on activated charcoal In ethyl acetate at 23℃; under 760.051 Torr; for 20h; | A 91 % Chromat. B 9.0 % Chromat. |
trimethylene oxide
hydrogenchloride
benzene
1-chloro-3-hydroxypropane
trimethylene oxide
aluminium trichloride
benzene
A
3-Phenyl-1-propanol
B
1-chloro-3-hydroxypropane
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
With hydrogenchloride; methanol |
Conditions | Yield |
---|---|
under 44130.5 - 51485.6 Torr; bei Raumtemperatur; | |
at 20℃; under 44130.5 - 51485.6 Torr; |
chloropropionic acid
diethyl ether
A
propan-1-ol
B
1-chloro-3-hydroxypropane
hydrogenchloride
trimethyleneglycol
A
bis(3-hydroxypropyl)ether
B
1,3-Dichloropropane
C
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
at 124℃; for 24h; Inert atmosphere; | 100% |
for 12h; Heating; | 98% |
at 100℃; Inert atmosphere; | 92% |
6,7-Dihydro-7-hydroxy-5H-pyrrolo<3,4-b>pyridin-5-one
1-chloro-3-hydroxypropane
7-(3-Chloro-propoxy)-6,7-dihydro-pyrrolo[3,4-b]pyridin-5-one
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid at 80℃; for 0.5h; | 100% |
diazoacetic acid ethyl ester
1-chloro-3-hydroxypropane
ethyl 2-(3-chloropropoxy)acetate
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In dichloromethane at 0 - 37℃; | 100% |
With boron trifluoride diethyl etherate In dichloromethane for 3h; | 75% |
boron trifluoride diethyl etherate In dichloromethane at 37℃; cooling with ice-methanol; | 65% |
boron trifluoride diethyl etherate In chloroform for 3h; Condensation; | |
With trifluoroborane diethyl ether In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran |
2-Amino-3-nitrophenol
1-chloro-3-hydroxypropane
2-(2-amino-3-nitrophenoxy)ethanol
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 20h; Heating; Reflux; | 100% |
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 80℃; Large scale; | 100% |
2-Amino-3-nitrophenol
1-chloro-3-hydroxypropane
3-(2-amino-3-nitrophenoxy)propan-1-ol
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 20h; Reflux; | 100% |
With potassium carbonate In acetone for 20h; Reflux; | 100% |
N-(2-methylphenyl)-2-mercaptoimidazole
1-chloro-3-hydroxypropane
3-(1-o-tolyl-1H-imidazol-2-ylsulfanyl)propan-1-ol
Conditions | Yield |
---|---|
With sodium hydroxide In isopropyl alcohol for 2.5h; Heating; | 99.8% |
1-chloro-3-hydroxypropane
(3-hydroxypropyl)hydrazine
Conditions | Yield |
---|---|
With hydrazine hydrate; sodium hydroxide at 98℃; for 1h; Inert atmosphere; | 99% |
With sodium hydroxide; hydrazine hydrate at 95 - 100℃; Inert atmosphere; | 43% |
With sodium hydroxide; hydrazine hydrate |
isobutene
1-chloro-3-hydroxypropane
3-(1,1-dimethylethoxy)-1-chloropropane
Conditions | Yield |
---|---|
With sulfuric acid In dichloromethane at -78℃; Addition; | 99% |
With sulfuric acid for 24h; | 78% |
sulfuric acid for 24h; in an autoclave; | 78% |
1-chloro-3-hydroxypropane
3-azidopropan-1-ol
Conditions | Yield |
---|---|
With sodium azide In N,N-dimethyl-formamide at 60℃; for 24h; Substitution; | 99% |
With sodium azide In water for 16h; Reflux; | 99% |
With sodium azide In water at 80℃; for 15h; | 99% |
(1S)-6,7-dimethoxy-2-methyl-1-(2,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
butanone
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
With sodium iodide; sodium carbonate In water | 99% |
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
at 60℃; for 0.166667h; Microwave irradiation; | 99% |
Conditions | Yield |
---|---|
at 120℃; for 3h; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate In tetrahydrofuran; N,N-dimethyl-formamide at 60℃; for 18h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 80℃; for 40h; | 98.42% |
para-nitrobenzenethiol
1-chloro-3-hydroxypropane
γ-<(p-nitrophenyl)thio>propanol
Conditions | Yield |
---|---|
With sodium hydroxide In water at 80℃; for 3.41667h; | 98% |
With potassium hydroxide |
1,1,1,3,3,3-hexamethyl-disilazane
1-chloro-3-hydroxypropane
(3-chloropropoxy)trimethylsilane
Conditions | Yield |
---|---|
With ammonium thiocyanate In dichloromethane at 0℃; for 0.166667h; | 98% |
for 48h; Heating; |
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
With molecular sieve; sodium carbonate In acetonitrile for 168h; Condensation; Heating; | 98% |
2-perfluorohexylethanethiol
1-chloro-3-hydroxypropane
3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octylsulfanyl)-propan-1-ol
Conditions | Yield |
---|---|
With potassium carbonate In ethanol at 75℃; for 6h; | 98% |
1,5-dihydroxynaphthalene
1-chloro-3-hydroxypropane
1,5-bis(3-hydroxypropoxy)naphthalene
Conditions | Yield |
---|---|
Stage #1: 1,5-dihydroxynaphthalene With potassium carbonate In acetonitrile for 1h; Inert atmosphere; Reflux; Stage #2: 1-chloro-3-hydroxypropane With potassium iodide In acetonitrile for 24h; Inert atmosphere; Heating; | 98% |
With caesium carbonate In acetonitrile Reflux; | 45% |
phenyl 2,3,4,6-tetra-O-acetyl-1-thio-α-D-mannopyranoside
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
Stage #1: phenyl 2,3,4,6-tetra-O-acetyl-1-thio-α-D-mannopyranoside; 1-chloro-3-hydroxypropane In dichloromethane at 25℃; for 0.5h; Molecular sieve; Inert atmosphere; Stage #2: With N-iodo-succinimide; trifluorormethanesulfonic acid In dichloromethane at 25℃; for 1h; Molecular sieve; Inert atmosphere; Stage #3: With acetic anhydride In dichloromethane at 25℃; for 0.5h; Molecular sieve; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol at 70℃; for 24h; | 98% |
2-Methoxypropene
pyridinium p-toluenesulfonate
1-chloro-3-hydroxypropane
1-chloro-3-(1-methoxy-1-methylethoxy)-propane
Conditions | Yield |
---|---|
97.4% |
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide for 1.5h; Ambient temperature; | 97% |
2-Methoxypropene
1-chloro-3-hydroxypropane
A
2,2-bis-(3-chloro-propoxy)-propane
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate at -65 - -60℃; for 1h; | A 2% B 97% |
thianthrene cation radical perchlorate
1-chloro-3-hydroxypropane
Conditions | Yield |
---|---|
In dichloromethane for 26h; Ambient temperature; | A n/a B 97% |
benzyl mesylate
1-chloro-3-hydroxypropane
1-chloro-3-benzyloxypropane
Conditions | Yield |
---|---|
With magnesium oxide; lithium trifluoromethanesulfonate; lithium tetrakis(pentafluorophenyl)borate In dichloromethane; cyclohexane at 20℃; for 24h; | 97% |
Conditions | Yield |
---|---|
at 60℃; for 96h; Inert atmosphere; | 97% |
at 180℃; Microwave irradiation; Green chemistry; | 94% |
In toluene at 60℃; for 240h; Inert atmosphere; | 86.5% |
Conditions | Yield |
---|---|
With (triphenylphosphine)gold(I) chloride; silver trifluoromethanesulfonate; triphenylphosphine In Tridecane; toluene at 85℃; for 24h; | 97% |
Molecule structure of 3-Chloro-1-propanol (CAS NO.627-30-5):
IUPAC Name: 3-Chloropropan-1-ol
Molecular Weight: 94.54008 g/mol
Molecular Formula: C3H7ClO
Density: 1.087 g/cm3
Melting Point: -20 °C
Boiling Point: 165 °C at 760 mmHg
Flash Point: 73.3 °C
Index of Refraction: 1.427
Molar Refractivity: 22.33 cm3
Molar Volume: 86.9 cm3
Surface Tension: 31.9 dyne/cm
Enthalpy of Vaporization: 46.75 kJ/mol
Vapour Pressure: 0.643 mmHg at 25 °C
Storage Temp.: 0-6 °C
Water Solubility: 300 g/L (20 °C)
XLogP3: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 94.018543
MonoIsotopic Mass: 94.018543
Topological Polar Surface Area: 20.2
Heavy Atom Count: 5
Canonical SMILES: C(CO)CCl
InChI: InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2
InChIKey: LAMUXTNQCICZQX-UHFFFAOYSA-N
EINECS: 210-992-9
Product Categories: Cyclomethycaine; Piperocaine; omega-Chloroalkanols; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides
3-Chloro-1-propanol (CAS NO.627-30-5) is a solvent used for organic synthesis. It is also an important intermediate in pharmaceutical synthesis.
3-Chloro-1-propanol is synthesized from ethylene, formaldehyde reaction with hydrogen chloride.
1. | mma-sat 33 µg/plate | ENMUDM Environmental Mutagenesis. 9 (Suppl 9)(1987),1. | ||
2. | orl-mus LD50:2300 mg/kg | ZHYGAM Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. 26 (1980),17. |
Reported in EPA TSCA Inventory.
Hazard Codes: Xn
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2849 6.1/PG 3
WGK Germany: 3
RTECS: UA8930000
HazardClass: 6.1
PackingGroup: III
HS Code: 29055910
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD
3-Chloro-1-propanol (CAS NO.627-30-5) is also named as 1-Chloro-3-hydroxypropane ; 3-Chloropropanol ; 3-Chlorpropan-1-ol ; 3-Chlorpropan-1-ol [German] ; 3-Choro-1-propanol ; 4-01-00-01441 (Beilstein Handbook Reference) ; AI3-61821 ; BRN 0773655 ; CCRIS 4767 ; NSC 60190 ; Trimethylene chlorohydrin . 3-Chloro-1-propanol (CAS NO.627-30-5) is colourless liquid with a mild odor. It is toxic by ingestion and inhalation . 3-Chloro-1-propanol is moderately soluble in water. It may be sensitive to prolonged exposure to light. 3-Chloro-1-propanol may react with oxidizing agents. Inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. It may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.
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