2-Pentyne, 1-bromo- supplier | CasNO.16400-32-1

Name
1-BROMO-2-PENTYNE
EINECS 240-451-2
CAS No. 16400-32-1
Article Data40
CAS DataBase
Density 1.366g/cm³
Solubility
Melting Point
Formula C₅H₇Br
Boiling Point 142.5 °C at 760 mmHg
Molecular Weight 147.015
Flash Point 45.1 °C
Transport Information UN 1993
Appearance
Safety 26-36
Risk Codes 10
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Bromo-2-pentyne;2-Pentynyl bromide;
PSA 0.00000
LogP 1.79470

Synthetic route

: 92666-05-2
toluene-4-sulfonic acid pent-2-ynyl ester

: 16400-32-1
1-bromo-pent-2-yne

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride; sodium bromide In dichloromethane; water for 6h; Ambient temperature;	95%

: 6261-21-8
2-pent-2-ynyloxy-tetrahydro-pyran

: 16400-32-1
1-bromo-pent-2-yne

Conditions

Conditions	Yield
With bromine; triphenylphosphine In dichloromethane	87%

: 6261-22-9
pent-2-yn-1-ol

: 16400-32-1
1-bromo-pent-2-yne

Conditions

Conditions	Yield
With pyridine; phosphorus tribromide In diethyl ether for 3h; Ambient temperature;	84%
Stage #1: pent-2-yn-1-ol With pyridine; phosphorus tribromide In diethyl ether at -10 - 20℃; for 6h; Inert atmosphere; Reflux; Stage #2: hydroquinone In diethyl ether for 4.5h; Reflux; Inert atmosphere;	84%
With pyridine; phosphorus tribromide In diethyl ether	80%

: 22592-15-0
1-chloropent-2-yne

: 16400-32-1
1-bromo-pent-2-yne

Conditions

Conditions	Yield
With lithium bromide In N,N-dimethyl-formamide at 60℃; for 72h; Substitution;	51%

: 18495-20-0
1-methoxy-2-pentyne

: 16400-32-1
1-bromo-pent-2-yne

Conditions

Conditions	Yield
With Acetyl bromide; zinc dibromide at 60 - 65℃;

: 53799-89-6
tetra-N-methyl-phosphorodiamidic acid pent-2-ynyl ester

: 16400-32-1
1-bromo-pent-2-yne

Conditions

Conditions	Yield
With phosphorus tribromide In diethyl ether for 4h; Heating;

: 75-16-1
methylmagnesium bromide

: 2219-66-1
1,4-dibromobut-2-yne

: 16400-32-1
1-bromo-pent-2-yne

Conditions

Conditions	Yield
at 0 - 5℃;

: 16400-32-1
1-bromo-pent-2-yne

: 609-02-9
methyl-malonic acid dimethylester

: 863297-78-3
dimethyl methyl(2-pentynyl)malonate

Conditions

Conditions	Yield
Stage #1: methyl-malonic acid dimethylester With sodium hydride In tetrahydrofuran for 0.25h; Stage #2: 1-bromo-pent-2-yne In tetrahydrofuran at 0 - 20℃;	100%

: 16400-32-1
1-bromo-pent-2-yne

: 1609496-75-4
S-(2-bromo-5-hydroxybenzyl)ethanethioate

: 1609496-76-5
4-bromo-3-((pent-2-yn-1-ylthio)methyl)phenol

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃; for 0.5h;	100%

: 16400-32-1
1-bromo-pent-2-yne

: 6089-04-9
3-(tetrahydropyran-2'-yloxy)propyne

: 925-90-6
ethylmagnesium bromide

: 117606-23-2
2,5-octadiyn-1-ol tetrahydropyranyl ether

Conditions

Conditions	Yield
Stage #1: 3-(tetrahydropyran-2'-yloxy)propyne; ethylmagnesium bromide In tetrahydrofuran; diethyl ether for 0.5h; Inert atmosphere; Reflux; Stage #2: 1-bromo-pent-2-yne With copper(l) iodide In tetrahydrofuran; diethyl ether	100%

...Expand

: 16400-32-1
1-bromo-pent-2-yne

: 2-((2-bromo-5-methoxybenzyl)thio)-1H-benzimidazole

: 2-((2-bromo-5-methoxybenzyl)thio)-1-(pent-2-yn-1-yl)-1H-benzimidazole

Conditions

Conditions	Yield
With potassium carbonate In acetone at 60℃; for 18h;	100%

: 16400-32-1
1-bromo-pent-2-yne

: 533-58-4
2-Iodophenol

: 1-iodo-2-(pent-2-yn-1-yloxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; Inert atmosphere;	100%

: 16400-32-1
1-bromo-pent-2-yne

: 7463-51-6
4-bromo-3,5-dimethylphenol

: 925441-93-6
2-Bromo-1,3-dimethyl-5-(2-pentynyloxy)benzene

Conditions

Conditions	Yield
Stage #1: 4-bromo-3,5-dimethylphenol With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: 1-bromo-pent-2-yne In N,N-dimethyl-formamide at 20℃; for 3h;	99%

: 16400-32-1
1-bromo-pent-2-yne

: 1266485-95-3
C13H17NO2S

: 1266485-96-4
C18H23NO2S

Conditions

Conditions	Yield
Stage #1: C13H17NO2S With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.0833333h; Reflux; Stage #2: 1-bromo-pent-2-yne In N,N-dimethyl-formamide at 20℃; for 1.5h;	99%

: 16400-32-1
1-bromo-pent-2-yne

: 6971-18-2
3-hydroxy-6-methylflavone

: 1429665-09-7
6-methyl-3-(pent-2-ynyloxy)-2-phenyl-4H-chromen-4-one

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 60℃;	99%

: 16400-32-1
1-bromo-pent-2-yne

: 1609496-74-3
S-(2-bromo-5-methoxybenzyl)ethanethioate

: 1609496-73-2
(2-bromo-5-methoxybenzyl)(pent-2-yn-1-yl)sulfide

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃; for 1h;	99%

: 16400-32-1
1-bromo-pent-2-yne

: 1256085-49-0
S-(2-bromobenzyl)ethanethioate

: 1609496-72-1
(2-bromobenzyl)(pent-2-yn-1-yl)sulfide

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃; for 1h;	99%
With potassium hydroxide In ethanol at 20℃; for 1h;	99%

: 16400-32-1
1-bromo-pent-2-yne

: C27H23Cl2N3NiO3

: C32H29Cl2N3NiO3

Conditions

Conditions	Yield
With sodium methylate; magnesium sulfate In neat (no solvent) at 20℃; for 0.333333h; Milling; diastereoselective reaction;	99%

: 70203-09-7
2-benzothiazol-2-ylsulfanyl-6-morpholin-4-yl-6-oxo-hexanoic acid methyl ester

: 16400-32-1
1-bromo-pent-2-yne

: 72844-46-3
2-(Benzothiazol-2-ylsulfanyl)-2-(4-morpholin-4-yl-4-oxo-butyl)-hept-4-ynoic acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetone Heating;	98%

: 16400-32-1
1-bromo-pent-2-yne

: 91-56-5
indole-2,3-dione

: 180968-93-8
1-Pent-2-ynyl-1H-indole-2,3-dione

Conditions

Conditions	Yield
With lithium hydride In N,N-dimethyl-formamide 20 deg C, 4 h; 60 deg C, 1 h;	98%

: 16400-32-1
1-bromo-pent-2-yne

: 40637-56-7
dimethyl allylmalonate

: 191801-56-6
dimethyl 2-allyl-2-(pent-2-ynyl)malonate

Conditions

Conditions	Yield
Stage #1: dimethyl allylmalonate With sodium hydride In tetrahydrofuran at 0℃; for 0.333333h; Stage #2: 1-bromo-pent-2-yne In tetrahydrofuran at 20℃; for 11h; Further stages.;	98%
With sodium hydride In mineral oil at 20℃; for 0.5h; Schlenk technique; Inert atmosphere;	91%
Stage #1: dimethyl allylmalonate With sodium hydride In tetrahydrofuran; hexane at 0 - 20℃; Stage #2: 1-bromo-pent-2-yne In tetrahydrofuran; hexane at 20℃; for 12.25h;	72%

: 16400-32-1
1-bromo-pent-2-yne

: 253195-68-5
6-hydroxy-2,3-dihydro-1H-indolizin-5-one

: 1426932-78-6
6-(pent-2-ynyloxy)-2,3-dihydroindolizin-5(1H)-one

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In acetone for 20h; Reflux;	98%

: 16400-32-1
1-bromo-pent-2-yne

: 6170-06-5
1-methylalizarin

: 1-methoxy-2-(pent-2-ynyloxy)anthracene-9,10-dione

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃;	98%

: 16400-32-1
1-bromo-pent-2-yne

: 6006-81-1
3-hydroxy-2-phenylpropene

: C14H16O

Conditions

Conditions	Yield
Stage #1: 3-hydroxy-2-phenylpropene With sodium hydride at 0 - 20℃; for 0.5h; Williamson Ether Synthesis; Inert atmosphere; Stage #2: 1-bromo-pent-2-yne at 20℃; Williamson Ether Synthesis; Inert atmosphere;	98%

: 70203-07-5
2-benzothiazol-2-ylsulfanyl-hexanedioic acid dimethyl ester

: 16400-32-1
1-bromo-pent-2-yne

: 72844-41-8
dimethyl 2-(2-pentynyl)-2-(2-benzothiazolylthio)adipate

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetone for 24h; Heating;	97%

: 16400-32-1
1-bromo-pent-2-yne

: 41827-90-1
4-hydroxy-2,3,6-trimethylbenzaldehyde

: 925441-96-9
4-(2-Pentynyloxy)-2,3,6-trimethylbenzaldehyde

Conditions

Conditions	Yield
Stage #1: 4-hydroxy-2,3,6-trimethylbenzaldehyde With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: 1-bromo-pent-2-yne In N,N-dimethyl-formamide at 20℃; for 3h;	97%

: 16400-32-1
1-bromo-pent-2-yne

: 58754-95-3
N-(2,2-dimethoxyethyl)-p-toluenesulfonamide

: 1290143-97-3
N-(2,2-dimethoxyethyl)-4-methyl-N-pent-2-ynylbenzenesulfonamide

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 3h;	97%

: 16400-32-1
1-bromo-pent-2-yne

: 2-(hept-1-yn-1-yl)-1-(4-hydroxybut-2-yn-1-yl)cyclohex-2-en-1-ol

: 2-(hept-1-yn-1-yl)-1-(4-(pent-2-yn-1-yloxy)but-2-yn-1-yl)cyclohex-2-en-1-ol

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide In dichloromethane; water at 40℃; for 3.5h; Williamson Ether Synthesis;	97%

: 16400-32-1
1-bromo-pent-2-yne

: 57204-95-2
2-(phenylselanyl)cyclohex-2-en-1-one

LiMe2Cu: LiMe2Cu

: (2S,3S)-3-Methyl-2-pent-2-ynyl-cyclopentanone

Conditions

Conditions	Yield
	96%

...Expand

: 637-87-6
1-Chloro-4-iodobenzene

: 16400-32-1
1-bromo-pent-2-yne

: 1-chloro-4-(1-ethyl-propa-1,2-dienyl)-benzene

Conditions

Conditions	Yield
With indium; lithium iodide; tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide at 100℃;	96%

: 621-59-0
isovanillin

: 16400-32-1
1-bromo-pent-2-yne

: 1001289-44-6
4-methoxy-3-(pent-2-ynyloxy)benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In acetone for 16h; Reflux;	96%

: 16400-32-1
1-bromo-pent-2-yne

: 6320-02-1
2-bromothiophenol

: 1609496-70-9
(2-bromophenyl)(pent-2-yn-1-yl)sulfide

Conditions

Conditions	Yield
With triethylamine In toluene for 4h; Reflux;	96%
With triethylamine In toluene for 4h; Reflux;	96%

: 6590-65-4
N-(2-Formyl-phenyl)-4-methyl-benzenesulfonamide

: 16400-32-1
1-bromo-pent-2-yne

: N-(2-formylphenyl)-4-methyl-N-(pent-2-yn-1-yl)benzenesulfonamide

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 75℃; for 24h; Inert atmosphere;	96%

: 16400-32-1
1-bromo-pent-2-yne

: 105-53-3
diethyl malonate

: 98442-18-3
ethyl 2-carbethoxy-hept-4-yn-1-oate

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane	95%
With potassium carbonate In acetone at 20℃; for 24h;	57%
Stage #1: diethyl malonate With sodium ethanolate In ethanol at 20℃; for 0.166667h; Stage #2: 1-bromo-pent-2-yne In ethanol at 20℃; for 2h; Further stages.;	31%

: 16400-32-1
1-bromo-pent-2-yne

: 1504-58-1
3-Phenyl-2-propyn-1-ol

: 1292284-06-0
(3-(pent-2-yn-1-yloxy)prop-1-yn-1-yl)benzene

Conditions

Conditions	Yield
Stage #1: 3-Phenyl-2-propyn-1-ol With sodium hydride In tetrahydrofuran at 0℃; for 0.75h; Inert atmosphere; Stage #2: 1-bromo-pent-2-yne In tetrahydrofuran Inert atmosphere;	95%

: 16400-32-1
1-bromo-pent-2-yne

: 830-41-1
N-allyl-4-bromobenzenesulfonamide

: N-allyl-4-bromo-N-(but-2-yn-1-yl)benzenesulfonamide

Conditions

Conditions	Yield
Stage #1: 1-bromo-pent-2-yne; N-allyl-4-bromobenzenesulfonamide With potassium carbonate In acetonitrile for 8h; Reflux; Stage #2: In acetonitrile at 20℃; for 14h;	95%

2-Pentyne, 1-bromo- Specification

The 2-Pentyne, 1-bromo-, with CAS registry number 16400-32-1, belongs to the following product categories: (1)Alkynyl; (2)Halogenated Hydrocarbons; (3)Organic Building Blocks. It has the systematic name of 1-bromopent-2-yne. And the chemical formula of this chemical is C₅H₇Br. What's more, its EINECS is 240-451-2.

Physical properties of 2-Pentyne, 1-bromo-: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.91; (6)ACD/BCF (pH 7.4): 33.91; (7)ACD/KOC (pH 5.5): 433.52; (8)ACD/KOC (pH 7.4): 433.52; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 30.95 cm³; (15)Molar Volume: 107.5 cm³; (16)Polarizability: 12.26×10^-24cm³; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 1.366 g/cm³; (19)Flash Point: 45.1 °C; (20)Enthalpy of Vaporization: 36.4 kJ/mol; (21)Boiling Point: 142.5 °C at 760 mmHg; (22)Vapour Pressure: 7 mmHg at 25°C.

Preparation: this chemical can be prepared by pent-2-yn-1-ol. This reaction will need reagent PBr₃ and solvent diethyl ether.

2-Pentyne, 1-bromo- can be prepared by pent-2-yn-1-ol.

When you are using this chemical, please be cautious about it as the following:
The 2-Pentyne, 1-bromo- is flammable. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC#CCC
(2)InChI: InChI=1/C5H7Br/c1-2-3-4-5-6/h2,5H2,1H3
(3)InChIKey: VDHGRVFJBGRHMD-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H7Br/c1-2-3-4-5-6/h2,5H2,1H3
(5)Std. InChIKey: VDHGRVFJBGRHMD-UHFFFAOYSA-N

Product Name

1-BROMO-2-PENTYNE

Synthetic route

2-Pentyne, 1-bromo- Specification

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