Methyl 4-chlorobutyrate supplier

Name
Methyl 4-chlorobutyrate
EINECS 221-592-9
CAS No. 3153-37-5
Article Data30
CAS DataBase
Density 1.12 g/mL at 25 °C(lit.)
Solubility Slightly soluble in water.
Melting Point
Formula C₅H₉ClO₂
Boiling Point 175-176 °C(lit.)
Molecular Weight 136.578
Flash Point 139 °F
Transport Information UN 3272
Appearance clear colourless liquid
Safety 37/39-26
Risk Codes 36/27/38
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl 4-chlorobutyrate;Butyricacid, 4-chloro-, methyl ester (7CI,8CI);4-Chlorobutanoic acid methyl ester;4-Chlorobutyric acid methyl ester;Methyl 4-chlorobutanoate;Methyl4-chlorobutyrate;Methyl g-chlorobutyrate;Methyl w-chlorobutyrate;NSC 66271;g-Chlorobutyric acid methyl ester;
PSA 26.30000
LogP 1.17840

Synthetic route

: 96-48-0
4-butanolide

: 67-56-1
methanol

: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
Stage #1: 4-butanolide With dichlorotriphenoxyphosphorane In dichloromethane at -5 - 0℃; Stage #2: methanol In dichloromethane at 45 - 50℃; Temperature;	93.1%

: 67-56-1
methanol

: 4635-59-0
4-Chlorobutanoyl chloride

: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
With pyridine at 25℃; for 18h;	77%

: 5891-21-4
5-chloro-2-pentanone

: 108-24-7
acetic anhydride

A: 3153-37-5
methyl 4-chlorobutyrate

B: 6001-87-2
methyl 3-chloropropionate

Conditions

Conditions	Yield
With oxygen; manganese(III) triacetate dihydrate at 90℃; under 3750.38 Torr; for 10h; Autoclave;	A 76% B 14%

...Expand

: 67-56-1
methanol

: 628-20-6
4-Chlorobutyronitrile

: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
With hydrogenchloride

: 67-56-1
methanol

: 627-00-9
γ-chlorobutyric acid

: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
With sulfuric acid; benzene
With sulfuric acid

: 67-56-1
methanol

: 628-22-8
4-hydroxy-1-butanitrile

: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
With hydrogenchloride

: 67-56-1
methanol

: 28341-54-0
4-(4-nitrophenoxy)butanoic acid

: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) chloride anfangs unter Eiskuehlung, zuletzt bei Siedetemperatur;

: 623-42-7
butanoic acid methyl ester

A: 817-76-5
2-chloropropyl methyl ester

B: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
With N-chloropiperidine; 2,2'-azobis(isobutyronitrile) In trifluoroacetic acid at 30℃; Product distribution; Rate constant; Irradiation; relative rate constants, position selectivity, substrate selectivity;
With chlorine Irradiation.mit UV-Licht;

: 623-42-7
butanoic acid methyl ester

: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
With chlorine Irradiation.Dampfphase; UV-Licht;

: 61882-39-1
4-methoxy-butyryl chloride

: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
3-stdg. Erwarmen auf dem Dampfbad;

: 29006-02-8
4-methoxybutyric acid

: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
With thionyl chloride

: 591235-25-5
γ-Diazobuttersaeure-methylester

: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
With hydrogenchloride In diethyl ether

: 623-42-7
butanoic acid methyl ester

A: 26464-32-4, 149948-70-9, 149948-80-1
methyl 2-chlorobutanoate

B: 817-76-5
2-chloropropyl methyl ester

C: 33657-49-7
chloromethyl n-butyrate

D: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
With chlorine Product distribution; Heating; Irradiation; influence of temperature, chlorinating agent, UV, addition of benzoyl peroxide;	A 8 % Chromat. B 52 % Chromat. C 2 % Chromat. D 38 % Chromat.

...Expand

: 7647-01-0
hydrogenchloride

: 628-20-6
4-Chlorobutyronitrile

: 3153-37-5
methyl 4-chlorobutyrate

: 7719-09-7
thionyl chloride

: 29006-02-8
4-methoxybutyric acid

: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
auf dem Dampfbad;

: 623-42-7
butanoic acid methyl ester

: 7782-50-5
chlorine

A: 817-76-5
2-chloropropyl methyl ester

B: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
Behandeln des Dampfes im UV-Licht.Irradiation;

...Expand

: 7791-25-5
sulfuryl dichloride

: 623-42-7
butanoic acid methyl ester

: 94-36-0
dibenzoyl peroxide

A: 26464-32-4, 149948-70-9, 149948-80-1
methyl 2-chlorobutanoate

B: 817-76-5
2-chloropropyl methyl ester

C: 3153-37-5
methyl 4-chlorobutyrate

Conditions

Conditions	Yield
im Dunkeln;

...Expand

: 3153-37-5
methyl 4-chlorobutyrate

: 87517-47-3
methyl-γ-azidobutyrate

Conditions

Conditions	Yield
With sodium azide In dimethyl sulfoxide at 45℃; for 24h;	99%
With sodium azide In dimethyl sulfoxide at 45 - 50℃; for 24h;	95%
With sodium azide In dimethyl sulfoxide at 60℃; for 18h;	85%

: 616-47-7
1-methyl-1H-imidazole

: 3153-37-5
methyl 4-chlorobutyrate

: 1-(3-methoxycarbonyl-propyl)-3-methyl-3H-imidazol-1-ium; chloride

Conditions

Conditions	Yield
at 60℃; for 24h;	97%

: 917-64-6
methyl magnesium iodide

: 3153-37-5
methyl 4-chlorobutyrate

: 7712-59-6
5-chloro-2-methylpentan-2-ol

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether at 20 - 45℃; Grignard reaction; Inert atmosphere;	95%
In diethyl ether	78%

: 3153-37-5
methyl 4-chlorobutyrate

: 18156-74-6
1-(Trimethylsilyl)imidazole

: 1,3-bis-(3-methoxycarbonyl-propyl)-3H-imidazol-1-ium; chloride

Conditions

Conditions	Yield
at 60℃; for 24h;	95%

: 52099-72-6
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one

: 3153-37-5
methyl 4-chlorobutyrate

: 3273-68-5
4-(1,2-dihydro-2-oxobenzo[d]imidazole-3-yl)butanoic acid

Conditions

Conditions	Yield
Stage #1: 1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one; methyl 4-chlorobutyrate With tetrabutylammomium bromide; potassium carbonate; potassium iodide In dimethyl sulfoxide at 110 - 115℃; Stage #2: With water; sodium hydroxide at 95 - 100℃; for 6h; Stage #3: With hydrogenchloride In water at 80 - 85℃;	95%

: 3153-37-5
methyl 4-chlorobutyrate

: 770-71-8
1-adamantanemethanol

: 4-Chloro-butyric acid adamantan-1-ylmethyl ester

Conditions

Conditions	Yield
With n-butylstannoic acid In toluene for 22h; Heating;	94%

: 3153-37-5
methyl 4-chlorobutyrate

: 53726-14-0
(S)-2-amino-butanamide hydrochloride

: 102767-28-2
levetiracetam

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In dimethyl sulfoxide at 100℃; for 24h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	80%

: 193966-79-9
6-benzyloxy-2-(4-hydroxyphenyl)-3-[3-methoxy-4-[(1-pyrrolidinyl)methyl]benzyl]benzo[b]thiophene

: 3153-37-5
methyl 4-chlorobutyrate

: 6-Benzyloxy-3-[3-methoxy-4-(1-pyrrolidinylmethyl)benzyl]-2-[4-[4-methoxy-4-oxobutoxy]phenyl]benzo[b]thiophene

Conditions

Conditions	Yield
With caesium carbonate In water; ethyl acetate; N,N-dimethyl-formamide	78%
With caesium carbonate In N,N-dimethyl-formamide

: 3153-37-5
methyl 4-chlorobutyrate

: 90004-04-9
1H-indazole-3-carboxamide

: 1376660-66-0
methyl 4-(3-carbamoyl-1H-indazol-1-yl) butyrate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile Reflux;	78%

: 3153-37-5
methyl 4-chlorobutyrate

: sodium salt of 3,5,6-trichloropyridine-2-ol

: C10H10Cl3NO3

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium carbonate In N,N-dimethyl-formamide at 70℃; for 6h;	78%

: 3153-37-5
methyl 4-chlorobutyrate

: 14273-85-9
methyl 4-iodobutanoate

Conditions

Conditions	Yield
With sodium iodide In acetone for 42h; Heating;	77.5%
With sodium iodide In acetone Heating; Yield given;
With sodium iodide In acetone

: 3153-37-5
methyl 4-chlorobutyrate

: 942596-86-3
1-diethoxyphosphoryl-2-(β-hydroxyethyl)aminoethane

: 1383381-59-6
methyl 3-((2-(diethoxyphosphoryl)ethyl)(2-hydroxyethyl)amino)butanoate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at -10 - 80℃; for 70h;	77%
With potassium carbonate In acetonitrile at -10 - 80℃; for 71h;	77%

: 3153-37-5
methyl 4-chlorobutyrate

: 13170-43-9
(trimethylsilyl)methylmagnesium chloride

: 121896-55-7
5-chloro-2-(trimethylsilylmethyl)-pent-1-ene

Conditions

Conditions	Yield
With cerium(III) chloride	76%

: 3153-37-5
methyl 4-chlorobutyrate

: 134469-07-1
Benzimidazol-2-thiol

: methyl 4-((1H-benzo[d]imidazol-2-yl)thio)butanoate

Conditions

Conditions	Yield
With potassium hydroxide In N,N-dimethyl-formamide at 20℃;	76%

: 292638-84-7
styrene

: 3153-37-5
methyl 4-chlorobutyrate

: 2113-51-1
2-iodobiphenyl

: methyl (E)-4-(2'-styryl-[1,1'-biphenyl]-2-yl)butanoate

Conditions

Conditions	Yield
With potassium acetate; palladium diacetate; potassium carbonate; isopropyl alcohol In N,N-dimethyl-formamide at 70℃; for 12h; Schlenk technique; Inert atmosphere;	73%

...Expand

: 3153-37-5
methyl 4-chlorobutyrate

: 100-52-7
benzaldehyde

: 214424-65-4
4-Chloro-2-(hydroxy-phenyl-methyl)-butyric acid methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 4-chlorobutyrate; benzaldehyde With potassium tert-butylate In tetrahydrofuran at -75℃; Aldol type addition; Inert atmosphere; Stage #2: With water; ammonium chloride In tetrahydrofuran Inert atmosphere;	71%

: 3153-37-5
methyl 4-chlorobutyrate

: 7073-99-6
2-tert-butylbromobenzene

: methyl 4-(8,8-dimethylbicyclo[4.2.0]octa-1,3,5-trien-2-yl)butanoate

Conditions

Conditions	Yield
With palladium diacetate; potassium carbonate; tris-(o-tolyl)phosphine In N,N-dimethyl-formamide at 70℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube;	71%

: 3153-37-5
methyl 4-chlorobutyrate

: 133827-52-8
ethyl 3-methyl-5-oxo-2,5-dihydroisoxazole-4-carboxylate sodium salt

: 113768-53-9
2-(3-Methoxycarbonyl-propyl)-3-methyl-5-oxo-2,5-dihydro-isoxazole-4-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With sodium iodide In N,N-dimethyl-formamide at 110 - 120℃; for 3h;	70%

: 53937-02-3
4-(benzyloxy)pyridin-2(1H)-one

: 3153-37-5
methyl 4-chlorobutyrate

: 219954-12-8
4-(4-Benzyloxy-2-oxo-2H-pyridin-1-yl)-butyric acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 48h; Heating;	68%

Methyl 4-chlorobutyrate Specification

This chemical is called Butanoic acid, 4-chloro-, methyl ester, and its CAS registry number is 3153-37-5. With the molecular formula of C₅H₉ClO₂, its molecular weight is 136.58. Additionally, its product categories are Aromatic Esters; C2 to C5; Carbonyl Compounds; Esters. It should be sealed in the cool and dry place.

Other characteristics of the Butanoic acid, 4-chloro-, methyl ester can be summarised as followings: (1)XLogP3: 1.3; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 4; (5)Exact Mass: 136.029107; (6)MonoIsotopic Mass: 136.029107; (7)Topological Polar Surface Area: 26.3; (8)Heavy Atom Count: 8; (9)Formal Charge: 0; (10)Complexity: 72.8; (11)Covalently-Bonded Unit Count: 1; (12)Feature 3D Acceptor Count: 1; (13)Effective Rotor Count: 4; (14)Conformer Sampling RMSD: 0.6; (15)CID Conformer Count: 23.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
2.Smiles: O=C(OC)CCCCl

Product Name

Methyl 4-chlorobutyrate

Synthetic route

Methyl 4-chlorobutyrate Specification

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