1-Bromo-5-fluoropentane supplier

Name
1-Bromo-5-fluoropentane
EINECS
CAS No. 407-97-6
Article Data3
CAS DataBase
Density 1.303 g/cm³
Solubility Soluble in methanol (in methanol). Slightly soluble in water.
Melting Point
Formula C₅H₁₀BrF
Boiling Point 162 °C at 760 mmHg
Molecular Weight 169.037
Flash Point 50.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Bromo-5-fluoropentane;5-Fluoroamyl bromide;
PSA 0.00000
LogP 2.52110

Synthetic route

: 34626-51-2
5-bromopentan-1-ol

: 407-97-6
1-bromo-5-fluoropentane

Conditions

Conditions	Yield
With diethylamino-sulfur trifluoride In dichloromethane at -70 - 20℃; Inert atmosphere;	61%

: 111-24-0
1,5-dibromo-pentane

: 407-97-6
1-bromo-5-fluoropentane

Conditions

Conditions	Yield
With potassium fluoride; diethylene glycol at 100℃;

: 120-72-9
indole

: 407-97-6
1-bromo-5-fluoropentane

: 407-25-0
trifluoroacetic anhydride

: C15H15F4NO

Conditions

Conditions	Yield
Stage #1: indole With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: 1-bromo-5-fluoropentane In N,N-dimethyl-formamide for 1h; Stage #3: trifluoroacetic anhydride In N,N-dimethyl-formamide for 1h;	95%
Stage #1: indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.166667h; Inert atmosphere; Stage #2: 1-bromo-5-fluoropentane In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h; Inert atmosphere; Stage #3: trifluoroacetic anhydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h; Inert atmosphere;
Stage #1: indole With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 0.5h; Inert atmosphere; Stage #2: 1-bromo-5-fluoropentane In N,N-dimethyl-formamide at 0 - 20℃; for 1h; Inert atmosphere; Stage #3: trifluoroacetic anhydride In N,N-dimethyl-formamide at 0 - 20℃; for 2h; Inert atmosphere;

...Expand

: 407-97-6
1-bromo-5-fluoropentane

: 118-55-8
phenyl Salicylate

: 6-fluoro-1-(2-hydroxyphenyl)hexan-1-one

Conditions

Conditions	Yield
With 1,10-Phenanthroline; nickel(II) bromide diethylene glycol dimethyl ether; zinc In N,N-dimethyl-formamide at 60℃; for 10h; Inert atmosphere; Sealed tube;	83%

: 407-97-6
1-bromo-5-fluoropentane

: 69843-08-9
1-(1,1,1-trifluoroprop-2-en-2-yl)-4-methoxybenzene

: 1-methoxy-4-(1,1,8-trifluorooct-1-en-2-yl)benzene

Conditions

Conditions	Yield
With 3,4,7,8-Tetramethyl-o-phenanthrolin; (η(5)-indenyl)trichlorotitanium; nickel dibromide; zinc In N,N-dimethyl acetamide at 60℃; for 24h; Schlenk technique; Inert atmosphere;	82%

: 407-97-6
1-bromo-5-fluoropentane

: 119072-55-8, 7188-38-7
tert-butylisonitrile

: N-(tert-butyl)-6-fluorohexanamide

Conditions

Conditions	Yield
With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); water; sodium t-butanolate In acetonitrile at 40℃; for 22h; Inert atmosphere; Sealed tube;	78%

: N-cyclopropyl-1-{4-[(ethylamino)carbonyl]-2-hydroxyphenyl}-5-methyl-1H-1,2,3-triazole-4-carboxamide

: 407-97-6
1-bromo-5-fluoropentane

: N-cyclopropyl-1-{4-[(ethylamino)carbonyl]-2-[(5-fluoropentyl)oxy]phenyl}-5-methyl-1H-1,2,3-triazole-4-carboxamide

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃;	77%

: 407-97-6
1-bromo-5-fluoropentane

: 476414-52-5, 607706-85-4
N-[(1Z)-8-mercapto-5,6-dimethyl-3-oxo-2,3-dihydro-1H-imidazo[5,1-c][1,4]thiazin-1-ylidene]-4-methylbenzenesulfonamide

: 476420-58-3, 607706-88-7
N-{(1Z)-8-[(5-fluoropentyl)thio]-5,6-dimethyl-3-oxo-2,3-dihydro-1H-imidazo[5,1-c][1,4]thiazin-1-ylidene}-4-methylbenzenesulfonamide

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide Heating;	77%

: 407-97-6
1-bromo-5-fluoropentane

: 103-67-3
benzyl-methyl-amine

: N-benzyl-5-fluoro-N-methylpentan-1-amine

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 60℃; for 48h;	76%

: 407-97-6
1-bromo-5-fluoropentane

: 629-05-0
n-octyne

: 1-fluorotridec-6-yne

Conditions

Conditions	Yield
With methyllithium In tetrahydrofuran at 0 - 20℃; for 1.5h; Inert atmosphere;	73%

: (S)-3-(6-hydroxybenzo[d]isoxazol-3-yl)-5-(methoxymethyl)oxazolidin-2-one

: 407-97-6
1-bromo-5-fluoropentane

: (S)-3-(6-(3-fluoropropoxy)benzo[d]isoxazol-3-yl)-5-(methoxymethyl)oxazolidin-2-one

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 90℃;	71%

: 407-97-6
1-bromo-5-fluoropentane

: 105-53-3
diethyl malonate

: 319-29-9
diethyl 2-(5-fluoropentyl)malonate

Conditions

Conditions	Yield
Stage #1: diethyl malonate With sodium hydride In tetrahydrofuran; mineral oil at 20℃; Stage #2: 1-bromo-5-fluoropentane In tetrahydrofuran; mineral oil at 20℃; for 12h;	70%
With ethanol; sodium methylate

: 407-97-6
1-bromo-5-fluoropentane

: methyl (naphthalen-2-ylmethyl) oxalate

: C16H19F

Conditions

Conditions	Yield
With manganese; nickel dibromide; tris(para-trifluoromethyl)phenyl phosphine In dimethyl sulfoxide; N,N-dimethyl-formamide at 30℃; for 24h; chemoselective reaction;	65%

: 407-97-6
1-bromo-5-fluoropentane

: 3598-30-9
3,4,3′,4′-tetrahydroxy-1,1′-biphenyl

: 3,3',4,4'-tetrakis((5-fluoropentyl)oxy)-1,1'-biphenyl

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 24h; Reflux;	63%

: 935742-52-2
(2-bromophenyl)methyl (2-methylprop-2-en-1-yl) ether

: 407-97-6
1-bromo-5-fluoropentane

: C16H23FO

Conditions

Conditions	Yield
With pyridine-2-yl-N-cyanoamidine; nickel dibromide; zinc In N,N-dimethyl acetamide at 55℃; for 10h;	62%

: N-cyclopropyl-1-{4-[(ethylamino)carbonyl]-2-hydroxyphenyl}-1H-1,2,3-triazole-4-carboxamide

: 407-97-6
1-bromo-5-fluoropentane

: N-cyclopropyl-1-{4-[(ethylamino)carbonyl]-2-[(5-fluoropentyl)oxy]phenyl}-1H-1,2,3-triazole-4-carboxamide

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃;	60%

: 808137-94-2
1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester

: 407-97-6
1-bromo-5-fluoropentane

: methyl 1-(5-fluoropentyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Conditions

Conditions	Yield
Stage #1: 1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 1h; Inert atmosphere; Stage #2: 1-bromo-5-fluoropentane In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere;	58%

: 407-97-6
1-bromo-5-fluoropentane

: 157428-24-5
1-(3,5-di-O-benzoyl-2-deoxy-2-fluoro-β-D-arabinofuranosyl)-N3-benzoyl-5-iodouracil

: 1037176-15-0
3-N-benzoyl-3',5'-di-O-benzoyl-5-(5-fluoropentyl)-2'-deoxy-2'-fluoroarabinouridine

Conditions

Conditions	Yield
Stage #1: 1-bromo-5-fluoropentane With iodine; zinc In N,N-dimethyl acetamide at 80℃; Stage #2: 1-(3,5-di-O-benzoyl-2-deoxy-2-fluoro-β-D-arabinofuranosyl)-N3-benzoyl-5-iodouracil; Pd(P(t-Bu)3) In N,N-dimethyl acetamide at 20℃; for 0.5h; Negishi cross-coupling; Further stages.;	53%

: 407-97-6
1-bromo-5-fluoropentane

: 72996-78-2
methyl 4-[N-(1-oxopropyl)-N-phenylamino]-4-piperidinecarboxylate

: methyl 4-[N-(1-oxopropyl)-N-phenylamino]-1-(5-fluoropentyl)-4-piperidinecarboxylate

Conditions

Conditions	Yield
Stage #1: methyl 4-[N-(1-oxopropyl)-N-phenylamino]-4-piperidinecarboxylate With potassium carbonate In tetrahydrofuran at 20℃; for 0.333333h; Stage #2: 1-bromo-5-fluoropentane In tetrahydrofuran for 5h; Heating;	51.3%

: 407-97-6
1-bromo-5-fluoropentane

: 156897-72-2
3-N-benzoyl 3',5'-di-O-benzoyl-5-iodo-2'-deoxyuridine

: 1037176-14-9
3-N-benzoyl-3',5'-di-O-benzoyl-5-(5-fluoropentyl)-2'-deoxyuridine

Conditions

Conditions	Yield
Stage #1: 1-bromo-5-fluoropentane With iodine; zinc In N,N-dimethyl acetamide at 80℃; Stage #2: 3-N-benzoyl-3',5'-di-O-benzoyl-5-iodo-2'-deoxyuridine; Pd(P(t-Bu)3) In N,N-dimethyl acetamide at 20℃; for 0.5h; Negishi cross-coupling; Further stages.;	50%

: 407-97-6
1-bromo-5-fluoropentane

: N-((3s,5s,7s)-adamantan-1-yl)-1H-indole-2-carboxamide

: N-((3s,5s,7s)-adamantan-1-yl)-1-(5-fluoropentyl)-1H-indole-2-carboxamide

Conditions

Conditions	Yield
Stage #1: N-((3s,5s,7s)-adamantan-1-yl)-1H-indole-2-carboxamide With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.25h; Inert atmosphere; Stage #2: 1-bromo-5-fluoropentane In N,N-dimethyl-formamide; mineral oil at 100℃; for 4h; Inert atmosphere;	47%

: 407-97-6
1-bromo-5-fluoropentane

: 1609-66-1
Norfentanyl

: N-[1-(5-fluoropentyl)-4-piperidinyl]-N-phenylpropanamide

Conditions

Conditions	Yield
Stage #1: Norfentanyl With potassium carbonate In tetrahydrofuran at 20℃; for 0.333333h; Stage #2: 1-bromo-5-fluoropentane In tetrahydrofuran for 5h; Heating;	45.6%

: 407-97-6
1-bromo-5-fluoropentane

: 81477-94-3
N-(diphenylmethylene)glycine tert-butyl ester

: tert-butyl (RS)-2-((diphenylmethylene)amino)-7-fluoroheptanoate

Conditions

Conditions	Yield
Stage #1: N-(diphenylmethylene)glycine tert-butyl ester With lithium diisopropyl amide In tetrahydrofuran; n-heptane; ethylbenzene at -78℃; for 1h; Inert atmosphere; Stage #2: 1-bromo-5-fluoropentane In tetrahydrofuran; n-heptane; ethylbenzene at -78 - 20℃; for 18h; Inert atmosphere;	43%

: 407-97-6
1-bromo-5-fluoropentane

: 949111-71-1
tert-butyl (4-((diethoxyphosphoryl)methyl)phenyl)carbamate

: tert-butyl (4-((diethoxyphosphoryl)methyl)phenyl)(5-fluoropentyl)carbamate

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 12h; Inert atmosphere;	43%

: 407-97-6
1-bromo-5-fluoropentane

: 1541244-77-2
4-fluoro-3-[(naphthalen-1-yl)carbonyl]-1H-indole

: 1541244-74-9
4-fluoro-1-(5-fluoropentyl)-3-[(naphthalen-1-yl)carbonyl]-1H-indole

Conditions

Conditions	Yield
Stage #1: 4-fluoro-3-[(naphthalen-1-yl)carbonyl]-1H-indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.583333h; Stage #2: 1-bromo-5-fluoropentane In N,N-dimethyl-formamide; mineral oil at 0 - 20℃;	28%

: 407-97-6
1-bromo-5-fluoropentane

: 4-fluoro-3-[(4-propylnaphthalen-1-yl)carbonyl]-1H-indole

: 1541244-75-0
4-fluoro-1-(5-fluoropentyl)-3-[(4-propylnaphthalen-1-yl)-carbonyl]-1H-indole

Conditions

Conditions	Yield
Stage #1: 4-fluoro-3-[(4-propylnaphthalen-1-yl)carbonyl]-1H-indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.583333h; Stage #2: 1-bromo-5-fluoropentane In N,N-dimethyl-formamide; mineral oil at 0 - 20℃;	24%

: 407-97-6
1-bromo-5-fluoropentane

: 143-33-9
sodium cyanide

: 373-31-9
6-Fluorohexanenitrile

Conditions

Conditions	Yield
With ethylene glycol

: 407-97-6
1-bromo-5-fluoropentane

: 333-20-0
potassium thioacyanate

: 661-18-7
5-fluoro-pentylsulfanyl cyanate

Conditions

Conditions	Yield
With ethanol
With water

: 407-97-6
1-bromo-5-fluoropentane

: 1066-26-8
sodium acetylide

: 353-15-1
7-fluoro-hept-1-yne

Conditions

Conditions	Yield
With ammonia

: 407-97-6
1-bromo-5-fluoropentane

: 373-07-9
1-fluoro-5-nitro-pentane

Conditions

Conditions	Yield
With silver(I) nitrite; diethyl ether

1-Bromo-5-fluoropentane Specification

The Pentane,1-bromo-5-fluoro- is an organic compound with the formula C₅H₁₀BrF. The IUPAC name of this chemical is 1-bromo-5-fluoropentane. With the CAS registry number 407-97-6, it is also named as 5-Fluoroamyl bromide.

Physical properties about Pentane,1-bromo-5-fluoro- are: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 2.5; (3)ACD/LogD (pH 7.4): 2.5; (4)ACD/BCF (pH 5.5): 46.5; (5)ACD/BCF (pH 7.4): 46.5; (6)ACD/KOC (pH 5.5): 543.47; (7)ACD/KOC (pH 7.4): 543.47; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.424; (10)Molar Refractivity: 33.1 cm³; (11)Molar Volume: 129.6 cm³; (12)Polarizability: 13.12×10^-24cm³; (13)Surface Tension: 25.9 dyne/cm; (14)Density: 1.303 g/cm³; (15)Flash Point: 50.1 °C; (16)Enthalpy of Vaporization: 38.22 kJ/mol; (17)Boiling Point: 162 °C at 760 mmHg; (18)Vapour Pressure: 2.89 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCF
(2)InChI: InChI=1/C5H10BrF/c6-4-2-1-3-5-7/h1-5H2
(3)InChIKey: GMYIZICPHREVDH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C5H10BrF/c6-4-2-1-3-5-7/h1-5H2
(5)Std. InChIKey: GMYIZICPHREVDH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	10480ug/kg (10.48mg/kg)		Canadian Journal of Biochemistry and Physiology. Vol. 36, Pg. 339, 1958.

Product Name

1-Bromo-5-fluoropentane

Synthetic route

1-Bromo-5-fluoropentane Specification

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