Methyl 4-bromobutyrate supplier

Name
Methyl 4-bromobutyrate
EINECS 225-523-3
CAS No. 4897-84-1
Article Data44
CAS DataBase
Density 1.417 g/cm³
Solubility insoluble in water
Melting Point 175-190 °C
Formula C₅H₉BrO₂
Boiling Point 186.5 °C at 760 mmHg
Molecular Weight 181.029
Flash Point 87 °C
Transport Information
Appearance Clear colorless to pale yellow liquid
Safety 37/39-26
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn
Synonyms Butyricacid, 4-bromo-, methyl ester (6CI,7CI,8CI);4-Bromobutanoic acid methyl ester;4-Bromobutyric acid methyl ester;Methyl 4-bromobutanoate;Methyl g-bromobutyrate;Methyl w-bromobutyrate;
PSA 26.30000
LogP 1.33450

Synthetic route

: 67-56-1
methanol

: 2623-87-2
bromobutyric acid

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
With acetyl chloride at 0 - 20℃; for 18h; Inert atmosphere;	100%
With thionyl chloride at 0 - 20℃;	89%
With thionyl chloride at 0 - 20℃; Inert atmosphere;	85%

: 67-56-1
methanol

: 927-58-2
4-bromobutyroyl chloride

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
In benzene for 1h;	100%
at 0 - 20℃; Inert atmosphere;	99%

: 96-48-0
4-butanolide

: 67-56-1
methanol

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
With hydrogen bromide at 23℃; for 48h;	90%
Stage #1: 4-butanolide With hydrogen bromide; acetic acid at 75℃; for 4h; Stage #2: methanol at 20℃;	86%
Stage #1: 4-butanolide With hydrogen bromide In acetic acid at 75℃; for 4h; Stage #2: methanol In acetic acid at 20℃;	86%

: 2623-87-2
bromobutyric acid

: 77971-32-5
Chlormethylsilylen

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
at 0 - 25℃; for 72.5h;	83.4%

: 554-12-1
propanoic acid methyl ester

: 2969-81-5
4-bromoethylbutanoate

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
titanium(IV) tetraethanolate for 24h; Heating;	83%

: 67-56-1
methanol

: 2969-81-5
4-bromoethylbutanoate

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
With di(n-butyl)tin oxide In methanol for 12h; Heating;	77%

: 96-48-0
4-butanolide

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
With hydrogen bromide Erwaermen des Reaktionsprodukts mit Schwefelsaeure enthaltendem Methanol und mit 1,2 Dichlor-aethan;

: 74-85-1
ethene

: 96-32-2
bromoacetic acid methyl ester

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
With pentane; dibenzoyl peroxide at 100℃;

: 186581-53-3, 908094-01-9
diazomethane

: 2623-87-2
bromobutyric acid

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
In diethyl ether

: 591235-25-5
γ-Diazobuttersaeure-methylester

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
With hydrogen bromide In diethyl ether

: 64072-44-2
4-Bromo-butyrimidic acid methyl ester

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
With sodium methylate In methanol

: 108-24-7
acetic anhydride

: 627-18-9
1-bromo-3-propanol

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
at 80℃; for 1.5h;

: 55444-67-2
trimethyl ortho-4-bromobutanoate

: 196929-78-9
(R)-2-methylpropane-2-sulfinamide

A: 4897-84-1
Methyl 4-bromobutyrate

B: 2-Methyl-propane-2-sulfinic acid [4-bromo-1-methoxy-but-(Z)-ylidene]-amide

Conditions

Conditions	Yield
With magnesium sulfate In tetrahydrofuran for 72h; Heating; Title compound not separated from byproducts.;

...Expand

: 623-42-7
butanoic acid methyl ester

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
With N-Bromosuccinimide; dibenzoyl peroxide

: 4897-84-1
Methyl 4-bromobutyrate

: 498-02-2
1-(3-methoxy-4-hydroxyphenyl)ethanone

: 175281-79-5
methyl 4-(4-acetyl-2-methoxyphenoxy)butanoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 16h; Ambient temperature;	100%
With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 16h;	100%
With potassium carbonate In N,N-dimethyl-formamide
With potassium carbonate In N,N-dimethyl-formamide for 16h; Inert atmosphere;

: 4897-84-1
Methyl 4-bromobutyrate

: 584-08-7
potassium carbonate

: 498-02-2
1-(3-methoxy-4-hydroxyphenyl)ethanone

: 175281-79-5
methyl 4-(4-acetyl-2-methoxyphenoxy)butanoate

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide	100%
In water; N,N-dimethyl-formamide	100%

...Expand

: 914200-90-1
N-[4-(7-hydroxy-6-methoxy-quinolin-4-yloxy)-phenyl]-benzamide

: 4897-84-1
Methyl 4-bromobutyrate

: 914201-09-5
4-[4-(4-benzoylamino-phenoxy)-6-methoxy-quinolin-7-yloxy]-butyric acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 48h;	100%

: 4897-84-1
Methyl 4-bromobutyrate

: 943344-83-0
(+/-)-5-(4-methoxyphenyl)-6-phenyl-4-(piperidin-3-yloxy)furo[2,3-d]pyrimidine

: 943345-40-2
(+/-)-4-(3-{[5-(4-Methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy}piperidin-1-yl)butanoic acid methyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; potassium iodide In tetrahydrofuran for 4h; Reflux;	100%

: 2-((allyloxy)methyl)-4-nitrophenol

: 4897-84-1
Methyl 4-bromobutyrate

: methyl 4-(2-((allyloxy)methyl)-4-nitrophenoxy)butanoate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 18h; Inert atmosphere; Reflux;	100%
With potassium carbonate In acetonitrile for 18h; Reflux; Inert atmosphere;	100%

: 4897-84-1
Methyl 4-bromobutyrate

: 90-15-3
α-naphthol

: methyl 4-(naphthalen-1-yloxy)butanoate

Conditions

Conditions	Yield
With potassium carbonate In acetone for 24h; Reflux;	100%

: 111-75-1
2-butylamino-ethanol

: 4897-84-1
Methyl 4-bromobutyrate

: methyl 4-(butyl(2-hydroxyethyl)amino)butanoate

Conditions

Conditions	Yield
Stage #1: 2-butylamino-ethanol With potassium carbonate In acetonitrile at 20℃; for 0.166667h; Stage #2: Methyl 4-bromobutyrate In acetonitrile Reflux;	100%

: 4897-84-1
Methyl 4-bromobutyrate

: (2S,3S,6S,7R,10R,E)-10-hydroxy-2-((R,2E,4E)-6-hydroxy-7-((2R,3R)-3-((2R,3S)-3-hydroxypentan-2-yl)oxiran-2-yl)-6-methylhepta-2,4-dien-2-yl)-7-methoxy-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl piperazine-1-carboxylate

: (2S,3S,6S,7R,10R,E)-10-hydroxy-2-((R,2E,4E)-6-hydroxy-7-((2R,3R)-3-((2R,3S)-3-hydroxypentan-2-yl)oxiran-2-yl)-6-methylhepta-2,4-dien-2-yl)-7-methoxy-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl 4-(4-methoxy-4-oxobutyl)piperazine-1-carboxylate

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20℃; for 48h;	100%

: 4897-84-1
Methyl 4-bromobutyrate

: 87517-47-3
methyl-γ-azidobutyrate

Conditions

Conditions	Yield
With sodium azide In dimethyl sulfoxide at 45 - 50℃; for 5h;	99%
With sodium azide In dimethyl sulfoxide at 45 - 50℃; for 5h;	99%
With sodium azide In dimethyl sulfoxide at 40 - 50℃; for 5h;	98.7%

: 93-35-6
7-hydroxy-2H-chromen-2-one

: 4897-84-1
Methyl 4-bromobutyrate

: C14H14O5

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In N,N-dimethyl-formamide at 50℃; for 24h;	99%

: 111-49-9
hexamethylene imine

: 4897-84-1
Methyl 4-bromobutyrate

: 54437-01-3
N-methylbutyrate azepane

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 20℃; for 96h;	99%

: 4897-84-1
Methyl 4-bromobutyrate

: allyl (6aS)-3,6-dihydroxy-2-methoxy-14-oxo-6,6a,7,12-tetrahydrobenzo[5,6][1,4]diazepino[1,2-b]isoquinoline-5(14H)-carboxylate

: allyl (6aS)-6-hydroxy-2-methoxy-3-(4-methoxy-4-oxobutoxy)-14-oxo-6,6a,7,12-tetrahydrobenzo[5,6][1,4]diazepino[1,2-b]isoquinoline-5(14H)-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 20h; Inert atmosphere;	99%

: 4897-84-1
Methyl 4-bromobutyrate

: 3251-56-7
2-methoxy-4-nitrophenol

: methyl 4-(2-methoxy-4-nitrophenoxy)butanoate

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 100℃; Williamson Ether Synthesis;	99%

: 4897-84-1
Methyl 4-bromobutyrate

: 1732-09-8
dimethyl subarate

Conditions

Conditions	Yield
With triethanolamine; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; [Ni(2,2′:6′,2''-terpyridine)(pyridine)(CH3CN)2](PF6)2 In acetonitrile at 23 - 28℃; for 12h; Inert atmosphere; Sealed tube; Irradiation;	98%

: 1-(2,3-dichlorophenyl)-piperazine hydrochloride

: 4897-84-1
Methyl 4-bromobutyrate

: methyl 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyrate

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20℃; for 24h;	98%

: 209688-24-4
methyl 2-t-butoxycarbonylamino-5-trifluoromethylbenzoate

: 4897-84-1
Methyl 4-bromobutyrate

: 851045-53-9
2-[tert-butoxycarbonyl-(3-methoxycarbonyl-propyl)-amino]-5-trifluoromethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With caesium carbonate In DMF (N,N-dimethyl-formamide) at 60℃; for 6h;	97%

: 4897-84-1
Methyl 4-bromobutyrate

: 37435-74-8
methyl 4-(nitrooxy)butanoate

Conditions

Conditions	Yield
With silver nitrate In acetonitrile at 80℃; for 4h; Inert atmosphere; Darkness;	97%
With silver nitrate In acetonitrile at 80℃; for 4h; Darkness;	93%
With silver nitrate In acetonitrile for 4h; Reflux;	93%
With silver nitrate In acetonitrile at 85℃; for 16h;	81.6%
With silver nitrate In acetonitrile at 80℃; for 4h; Absence of light;

: 4897-84-1
Methyl 4-bromobutyrate

: 92144-13-3
dimethyl 3-methoxypyrrole-2,5-dicarboxylic acid

: 558450-55-8
dimethyl 3-methoxy-1-[3-(methoxycarbonyl)propyl]-1H-pyrrole-2,5-dicarboxylate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 4h;	96%

: 872624-54-9
methyl 2-(N-isopropoxycarbonylamino)-5-methyl-4-trifluromethylbenzoate

: 4897-84-1
Methyl 4-bromobutyrate

: 872624-55-0
methyl 2-{N-isopropoxycarbonyl-N'-(3-methoxycarbonylpropyl)amino}-5-methyl-4-trifluoromethylbenzoate

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20 - 55℃; for 2.5h;	96%

: 4897-84-1
Methyl 4-bromobutyrate

: 1346551-71-0
(3,3-dimethylpiperidin-1-yl)(6-(4-methylpiperidin-1-yl)pyridin-2-yl)methanone

: 1346551-84-5
methyl 3-(4-(6-(adamantan-2-ylcarbamoyl)pyridin-2-yl)piperazin-1-yl)propanoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere;	96%

: 4897-84-1
Methyl 4-bromobutyrate

: 591-20-8
3-Bromophenol

: 1096893-57-0
methyl 4-(3-bromophenoxy)butanoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20 - 90℃; for 1.5h;	96%
With potassium carbonate In N,N-dimethyl-formamide at 20 - 95℃; for 1.5h;	96%
With potassium carbonate In N,N-dimethyl-formamide at 20 - 95℃; for 1.5h;

: 4897-84-1
Methyl 4-bromobutyrate

: C28H36N2O6Si

: C33H44N2O8Si

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 25℃; for 1h;	96%

: 99-53-6
2-methyl-4-nitrophenol

: 4897-84-1
Methyl 4-bromobutyrate

: C12H15NO5

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃;	96%

: 110-85-0
piperazine

: 4897-84-1
Methyl 4-bromobutyrate

: 6-(6-hydroxy-3,8-dimethyl-2-oxo-2,3-dihydro-7H-purin-7-yl)hexyl methanesulfonate

: methyl 4-(4-(6-(6-hydroxy-3,8-dimethyl-2-oxo-2,3-dihydro-7H-purin-7-yl)hexyl)piperazin-1-yl)butanoate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 70℃; for 12h;	96%

...Expand

: 4897-84-1
Methyl 4-bromobutyrate

: 3,5-dichloro-4-((6-chloro-5-isopropylpyridazin-3-yl)oxy)phenol

: methyl 4-(3,5-dichloro-4-((5-isopropyl-6-chloro-1,6-dihydropyridazin-3-yl)oxy)phenoxy)butyrate

Conditions

Conditions	Yield
With potassium carbonate In acetone for 6h; Reflux;	96%

: 4897-84-1
Methyl 4-bromobutyrate

: 603-35-0
triphenylphosphine

: 13395-34-1
(3-(methoxycarbonyl)propyl)triphenylphosphonium bromide

Conditions

Conditions	Yield
In acetonitrile at 90℃;	95%
In acetonitrile for 24h; Reflux; Inert atmosphere;	90%
In toluene for 48h; Heating;	89%

: 4897-84-1
Methyl 4-bromobutyrate

: 121-33-5
vanillin

: 176375-41-0
4-(4-formyl-2-methoxyphenoxy)butanoic acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 6h;	95%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 6h;	95%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 6h;	95%

: 24152-39-4
4-n-butylpiperidine

: 4897-84-1
Methyl 4-bromobutyrate

: 4-(4-Butylpiperidine-1-yl)-butyric acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile	94%
With potassium carbonate In water; acetonitrile

Methyl 4-bromobutyrate Chemical Properties

Product Name: Methyl 4-bromobutyrate (CAS NO.4897-84-1)

Molecular Formula: C₅H₉BrO₂
Molecular Weight: 181.03g/mol
Mol File: 4897-84-1.mol
EINECS: 225-523-3
Appearance: Clear colorless to pale yellow liquid
Boiling point: 186.5 °C at 760 mmHg
Flash Point: 87 °C
Density: 1.417 g/cm³
Refractive index: 1.4620
Water Solubility: insoluble
Index of Refraction: 1.455
Molar Refractivity: 34.71 cm³
Molar Volume: 127.7 cm³
Surface Tension: 33.7 dyne/cm
Enthalpy of Vaporization: 42.27 kJ/mol
Vapour Pressure: 0.661 mmHg at 25°C
XLogP3-AA: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Methyl 4-bromobutyrate (CAS NO.4897-84-1):
IUPAC Name: methyl 4-bromobutanoate
Canonical SMILES: COC(=O)CCCBr
InChI: InChI=1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
InChIKey: QAWFLJGZSZIZHO-UHFFFAOYSA-N
Product Categories: Miscellaneous

Methyl 4-bromobutyrate Safety Profile

Safety Information of Methyl 4-bromobutyrate (CAS NO.4897-84-1):
Hazard Codes: Xn Harmful
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Methyl 4-bromobutyrate Specification

Methyl 4-bromobutyrate , its CAS NO. is 4897-84-1, the synonym is 4-Bromobutyric acid methyl ester .

Product Name

Methyl 4-bromobutyrate

Synthetic route

Methyl 4-bromobutyrate Chemical Properties

Methyl 4-bromobutyrate Safety Profile

Methyl 4-bromobutyrate Specification

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