Conditions | Yield |
---|---|
With hydrogen bromide; dibenzoyl peroxide In benzene at 20℃; for 6h; | 92% |
With hydrogen bromide | |
With hydrogen bromide |
3-chloropropyl p-toluenesulfonate
diethyl ether
A
1-Chloropentane
B
1,3-chlorobromopropane
3-chloropropyl p-toluenesulfonate
diethyl ether
A
decyl chloride
B
1,3-chlorobromopropane
Conditions | Yield |
---|---|
With sulfuryl dichloride; dibenzoyl peroxide | |
With sulfuryl dichloride; dilauryl peroxide | |
With sulfuryl dichloride; dilauryl peroxide | |
With sulfuryl dichloride; dibenzoyl peroxide | |
With chlorine at 25 - 180℃; |
Conditions | Yield |
---|---|
With ethyl bromide; aluminum tri-bromide at 2 - 5℃; |
Conditions | Yield |
---|---|
With ethyl bromide; aluminum tri-bromide at 2 - 5℃; |
3-chloroprop-1-ene
A
2-bromo-1-chloropropane
B
1,3-chlorobromopropane
Conditions | Yield |
---|---|
With hydrogen bromide | |
With hydrogen bromide | |
With hydrogen bromide |
Conditions | Yield |
---|---|
With sulfuric acid; hydrogen bromide dann Destillieren; | |
With phosphorus tribromide | |
With phosphorus tribromide |
hydrogen bromide
bromine
3-chloroprop-1-ene
1,3-chlorobromopropane
Conditions | Yield |
---|---|
in Gegenwart von Feuchtigkeit; |
Conditions | Yield |
---|---|
in Gegenwart von Feuchtigkeit; |
Conditions | Yield |
---|---|
in Gegenwart von Feuchtigkeit; |
1,3-chlorobromopropane
Conditions | Yield |
---|---|
With diethyl ether |
sulfuryl dichloride
dilauryl peroxide
propyl bromide
A
1-bromo-2-chloropropane
B
1,3-chlorobromopropane
sulfuryl dichloride
propyl bromide
dibenzoyl peroxide
A
1-bromo-2-chloropropane
B
1,3-chlorobromopropane
hydrogen bromide
3-chloroprop-1-ene
A
2-bromo-1-chloropropane
B
1,3-chlorobromopropane
Conditions | Yield |
---|---|
at -18 - 18℃; | |
unter verschiedenen Bedingungen; | |
unter verschiedenen Bedingungen; |
hydrogen bromide
acetic acid
3-chloroprop-1-ene
A
2-bromo-1-chloropropane
B
1,3-chlorobromopropane
Conditions | Yield |
---|---|
at -18 - 18℃; |
ethyl bromide
aluminium bromide
1,3-Dichloropropane
A
1,3-chlorobromopropane
B
1,3-dibromo-propane
Conditions | Yield |
---|---|
at 2 - 5℃; |
Conditions | Yield |
---|---|
With hydrogen bromide at 100℃; |
Conditions | Yield |
---|---|
With mercury dichloride |
Conditions | Yield |
---|---|
beim Kochen; |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 25℃; for 12h; | 100% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; | 98% |
Stage #1: thiophenol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 1h; Inert atmosphere; Stage #2: 1.3-chlorobromopropane In tetrahydrofuran at 0 - 20℃; for 24h; Inert atmosphere; | 95% |
Isobutyronitrile
1,3-chlorobromopropane
5-chloro-2,2-dimethylpentanenitrile
Conditions | Yield |
---|---|
With lithium hexamethyldisilazane at 70℃; for 16h; | 100% |
With lithium hexamethyldisilazane at 70℃; for 16h; | 100% |
With lithium hexamethyldisilazane at 70℃; for 16h; | 100% |
1,3-chlorobromopropane
para-thiocresol
γ-chloropropyl 4-methylphenyl sulphide
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; | 100% |
With sodium hydroxide In ethanol at 100℃; | 65% |
With potassium hydroxide |
2,3-dihydro-2H-furan
1,3-chlorobromopropane
5-(3-chloropropyl)-2,3-dihydrofuran
Conditions | Yield |
---|---|
Stage #1: 2,3-dihydro-2H-furan With tert.-butyl lithium In tetrahydrofuran; pentane at -78 - 0℃; for 3h; Inert atmosphere; Stage #2: 1.3-chlorobromopropane In tetrahydrofuran; pentane at -78℃; for 14h; Inert atmosphere; | 100% |
With N,N,N,N,N,N-hexamethylphosphoric triamide; tert.-butyl lithium 1.) THF, from -78 deg C to 0 deg C, 1.25 h, 2.) THF, from 0 deg C to 25 deg C, 7.33 h; Yield given. Multistep reaction; |
2,6-dihydroxylacetophenone
1,3-chlorobromopropane
2-(3-chlorophenoxy)-6-hydroxyacetophenone
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 24h; Heating; | 100% |
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 4h; | 46% |
With potassium carbonate In acetone |
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 24h; Williamson Ether Synthesis; Reflux; | 100% |
With potassium carbonate In acetone for 24h; Heating; | 71% |
With potassium carbonate In acetone for 24h; Heating; | 70% |
1,3-chlorobromopropane
4-Hydroxyacetophenone
1-[4-(3-chloropropoxy)phenyl]ethanone
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 65℃; for 18h; | 100% |
With potassium carbonate In acetone at 65℃; | 99% |
With potassium carbonate In acetone at 65℃; | 99% |
1,3-chlorobromopropane
meta-hydroxyacetanilide
N-<3-(3-chloropropoxy)phenyl>acetamide
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 16h; Heating; | 100% |
With sodium hydroxide In ethanol for 8h; Heating; | 65% |
1,3-chlorobromopropane
N-(3,3-dimethoxy-2-butylidene)isopropylamine
N-(7-chloro-2,2-dimethoxy-3-heptylidene)isopropylamine
Conditions | Yield |
---|---|
With lithium diisopropyl amide In tetrahydrofuran; hexane 1.) 0 deg C, 3 h, 2.) rt, 20 h; | 100% |
Stage #1: N-(3,3-dimethoxy-2-butylidene)isopropylamine With lithium diisopropyl amide In tetrahydrofuran; hexane at 0℃; for 3h; Stage #2: 1.3-chlorobromopropane In tetrahydrofuran; hexane at 0 - 20℃; for 20h; | 98% |
1,3-chlorobromopropane
2-nitro-10H-indolo[3,2-b]quinoline
2-nitro-10-chloropropylindolo[3,2-b]quinoline
Conditions | Yield |
---|---|
With sodium hydroxide; dimethyl sulfoxide at 20℃; for 4h; Substitution; | 100% |
benzoimidazole
1,3-chlorobromopropane
1-(Benzimidazol-1-yl)-3-chloropropane
Conditions | Yield |
---|---|
Stage #1: benzoimidazole With sodium hydride In 1-methyl-pyrrolidin-2-one at 20℃; for 0.5h; Stage #2: 1.3-chlorobromopropane In 1-methyl-pyrrolidin-2-one at 20 - 100℃; for 76h; | 100% |
With tetrabutylammomium bromide; sodium hydroxide In water at 60℃; for 2.08333h; | 62% |
With sodium hydride 1) acetonitrile, reflux, 1 h; 2) acetonitrile, reflux, 2 h; Yield given; Multistep reaction; | |
With potassium carbonate In acetone for 12h; Reflux; |
methyl 4'-hydroxy-4-biphenylcarboxylate
1,3-chlorobromopropane
Methyl 4'-(3-chloropropoxy)[1,1'-biphenyl]-4-carboxylate
Conditions | Yield |
---|---|
With potassium carbonate In butanone for 24h; Heating; | 100% |
With potassium carbonate In butanone | 92% |
With potassium carbonate In butanone | 92% |
2-fluoro-4-hydroxybenzonitrile
1,3-chlorobromopropane
4-(3-chloropropoxy)-2-fluorobenzonitrile
Conditions | Yield |
---|---|
With potassium carbonate In butanone Heating; | 100% |
1,3-chlorobromopropane
1-(3,5-difluoro-4-hydroxyphenyl)ethanone
1-[4-(3-chloro-propoxy)-3,5-difluoro-phenyl]-ethanone
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 20h; Heating / reflux; | 100% |
4-(5-methyl-4, 5,6,7-tetrahydro[1,3]oxazolo[4,5-c]pyridin-2-yl)phenol
1,3-chlorobromopropane
Conditions | Yield |
---|---|
With potassium carbonate In butanone for 4h; Heating / reflux; | 100% |
4-(4-acetyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-b]azepin-2-yl)phenol
1,3-chlorobromopropane
Conditions | Yield |
---|---|
With potassium carbonate In butanone for 20h; Heating / reflux; | 100% |
In ethyl acetate for 20h; Reflux; | 100% |
1,3-chlorobromopropane
5-hydroxy-1,3-dihydro-1-isoindolone
5-(3-chloro-propoxy)-2,3-dihydro-isoindol-1-one
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetonitrile for 18h; Heating / reflux; | 100% |
1,3-chlorobromopropane
potassium thioacetate
thioacetic acid S-(3-chloropropyl) ester
Conditions | Yield |
---|---|
In tetrahydrofuran for 1h; Heating; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 20h; Heating / reflux; | 100% |
With potassium carbonate In acetone | 100% |
With potassium carbonate In acetone Heating / reflux; | 98% |
1,3-chlorobromopropane
7-hydroxy-6-methoxy-3-pivaloyloxymethyl-3,4-dihydroquinazolin-4-one
7-(3-chloropropoxy)-6-methoxy-3-((pivaloyloxy)methyl)-3,4-dihydroquinazolin-4-one
Conditions | Yield |
---|---|
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 20℃; | 100% |
1,3-chlorobromopropane
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide; acetone; mineral oil | 100% |
1,3-chlorobromopropane
1,3-bis(2,2-dimethyl-5-chloropentanoyloxy)-propane
Conditions | Yield |
---|---|
With lithium diisopropyl amide In tetrahydrofuran; water | 100% |
1,3-chlorobromopropane
2-fluoro-4-hydroxybenzoic acid
3-chloropropyl 4-(3-chloropropoxy)-2-fluorobenzoate
Conditions | Yield |
---|---|
With potassium carbonate In butanone at 80℃; | 100% |
4-bromo-2-fluorophenol
1,3-chlorobromopropane
4-bromo-1-(3-chloro-propoxy)-2-fluoro-benzene
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile for 3h; Product distribution / selectivity; Heating / reflux; | 100% |
1,3-chlorobromopropane
Conditions | Yield |
---|---|
Stage #1: 8-[2-(6,6-dimethyl-bicyclo[3.1.1]hept-2-yl)-ethyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.5h; Stage #2: 1.3-chlorobromopropane In tetrahydrofuran at 0 - 50℃; for 4h; | 100% |
tert-butyl 1H-indole-2-carboxylate
1,3-chlorobromopropane
tert-butyl 1-(3-chloropropyl)-1H-indole-2-carboxylate
Conditions | Yield |
---|---|
Stage #1: tert-butyl 1H-indole-2-carboxylate With sodium hydride In N,N-dimethyl-formamide Stage #2: 1.3-chlorobromopropane In N,N-dimethyl-formamide at 60℃; for 16h; | 100% |
1,3-chlorobromopropane
3,3-difluoro-1,3-dihydro-2H-indol-2-one
1-(3-chloropropyl)-3,3-difluoroindolin-2-one
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 16h; | 100% |
1,3-chlorobromopropane
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile for 3h; Reflux; | 100% |
With potassium carbonate In acetonitrile for 3h; Reflux; | 96% |
With potassium carbonate In acetonitrile for 3h; Reflux; | 96% |
4-(4-hydroxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
1,3-chlorobromopropane
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 80℃; for 16h; | 100% |
With potassium carbonate In acetone at 90℃; for 40h; |
1-tert-butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate
1,3-chlorobromopropane
Conditions | Yield |
---|---|
Stage #1: 1-tert-butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate With potassium tert-butylate In tetrahydrofuran at -20℃; for 0.5h; Stage #2: 1.3-chlorobromopropane In tetrahydrofuran at 15℃; Inert atmosphere; | 100% |
1. Introduction of 1-Bromo-3-chloropropane
1-Bromo-3-chloropropane, with the CAS registry number of 109-70-6, is also named as 1,3-Chlorbromopropane. The product's categories are Organics; Bromo Chloro; Omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Omega-Haloalkyl Chlorides. Besides, it should be stored in a cool and well-ventilated place. 1-Bromo-3-chloropropane is used for organic synthesis and pharmaceutical industry and it is also used as a pharmaceutical intermediate.
2. Properties of 1-Bromo-3-chloropropane
Physical properties about 1-Bromo-3-chloropropane are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.18; (3)ACD/LogD (pH 7.4): 2.18; (4)ACD/BCF (pH 5.5): 26.67; (5)ACD/BCF (pH 7.4): 26.67; (6)ACD/KOC (pH 5.5): 365.08; (7)ACD/KOC (pH 7.4): 365.08; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.468; (10)Molar Refractivity: 28.52 cm3; (11)Molar Volume: 102.6 cm3; (12)Polarizability: 11.3×10-24cm3; (13)Surface Tension: 30.9 dyne/cm; (14)Density: 1.534 g/cm3; (15)Flash Point: 38 °C; (16)Enthalpy of Vaporization: 35.84 kJ/mol; (17)Boiling Point: 136.4 °C at 760 mmHg; (18)Vapour Pressure: 9.15 mmHg at 25°C.
3. Structure Descriptors of 1-Bromo-3-chloropropane
(1)SMILES: BrCCCCl
(2)InChI: InChI=1/C3H6BrCl/c4-2-1-3-5/h1-3H2
(3)InChIKey: MFESCIUQSIBMSM-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2
(5)Std. InChIKey: MFESCIUQSIBMSM-UHFFFAOYSA-N
4. Toxicity of 1-Bromo-3-chloropropane
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LCLo | inhalation | 7270mg/m3/2H (7270mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 35, 1982. | |
mouse | LD50 | oral | 1290mg/kg (1290mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 35, 1982. | |
rat | LC50 | inhalation | 5668mg/m3 (5668mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 19(9), Pg. 36, 1975. | |
rat | LD50 | oral | 930mg/kg (930mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 12, Pg. 93, 1971. |
7. Other details of 1-Bromo-3-chloropropane
When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. Please keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
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