Isobutyryl Chloride supplier

Name
Isobutyryl chloride
EINECS 201-194-1
CAS No. 79-30-1
Article Data87
CAS DataBase
Density 1.03 g/cm³
Solubility soluble in ether
Melting Point -90 °C
Formula C₄H₇ClO
Boiling Point 90.9 °C at 760 mmHg
Molecular Weight 106.552
Flash Point 1.1 °C
Transport Information UN 2395 3/PG 2
Appearance Colorless liquid
Safety 16-23-26-36-45-36/37/39-28A
Risk Codes 11-35-23
Molecular Structure
Hazard Symbols F,C,T
Synonyms alpha-Methylpropionyl chloride;2-Methylpropionyl chloride;Isobutyryl chloride [UN2395] [Flammable liquid];Isobutyroyl chloride;Chloro isopropyl ketone;Propanoyl chloride, 2-methyl-;Dimethylacetyl chloride;Isobutyric acid chloride;2-Methylprop-anoyl chloride;α-Methylpropionyl chloride;
PSA 17.07000
LogP 1.40780

Synthetic route

: 79-31-2
isobutyric Acid

: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
With phosphorus trichloride at 45 - 55℃; for 6h;	99.6%
With trichloroacetonitrile; triphenylphosphine In dichloromethane at 30℃; Temperature; Inert atmosphere;	99.76%
Stage #1: isobutyric Acid With phosphorus trichloride at 60℃; for 2h; Stage #2: With hydrogenchloride for 0.3h; Temperature;	97.5%

: 155879-72-4
2-(5-amino-2-ethoxyphenyl)-pyrido[3,2-d]pyrimidin-4(3H)-one

A: 2-(5-Isobutyrylamino-2-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4(3H)-one

B: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
	A 80% B n/a

: 16883-61-7
trimethylsilyl isobutyrate

: 4353-77-9
chlorosulfonate de trimethylsilyle

A: 89056-04-2
2-Methyl-2-(trimethylsiloxysulfonyl)-propansaeure-trimethylsilylester

B: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
In 1,2-dichloro-ethane for 12h; Heating;	A 61% B n/a

...Expand

: 383865-57-4
4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl-amine

A: N-(4-Methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-isobutyramide

B: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
	A 8% B n/a

: 98-88-4
benzoyl chloride

: 79-31-2
isobutyric Acid

: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
durch Destillation;

: 3619-17-8
isobutyric acid hydrazide

: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
With hydrogenchloride; dichloromethane; chlorine

: 141-75-3
butyryl chloride

: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
aluminium trichloride; Pd(Ph3)3(Cl)(COCH3)+AlCl3 In chloroform-d1 at 50℃; for 168h; Product distribution; variation of calyst;

: 35586-36-8
isobutyryl radical

: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
With tetrachloromethane In hexane at 22.9℃; Rate constant;

: 75-09-2
dichloromethane

: 7782-50-5
chlorine

: 3619-17-8
isobutyric acid hydrazide

: 79-30-1
isobutyryl chloride

...Expand

isobutyrate sodium: isobutyrate sodium

: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
With trichlorophosphate

: 1120-64-5
2-methyl-4,5-dihydro-1,3-oxazole

: 75-36-5
acetyl chloride

A: 79-30-1
isobutyryl chloride

B: 13670-39-8
1-(4,5-dihydrooxazol-2-yl)propan-2-one

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran

...Expand

: 69151-13-9
C3Cl2(C3H7)2

: 79-31-2
isobutyric Acid

A: 877675-72-4
2,3-diisopropylcyclopropenone

B: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.0833333h; Inert atmosphere;	A 66.9 mg B n/a

...Expand

: 78-84-2
isobutyraldehyde

: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
With trichloroisocyanuric acid In dichloromethane at 20℃; Inert atmosphere;
With trichloroisocyanuric acid In dichloromethane at 20℃; Inert atmosphere;

: 707-74-4
(trichloromethyl)mesitylene

: 79-31-2
isobutyric Acid

A: 79-30-1
isobutyryl chloride

B: 938-18-1
mesitylene-2-carboxylic acid chloride

Conditions

Conditions	Yield
With iron(III) chloride at 100℃; for 3h; Inert atmosphere;	A 6.7 kg B 11.5 kg

...Expand

: 118-92-3
anthranilic acid

: 79-30-1
isobutyryl chloride

: 17840-96-9
2-isobutyramidobenzoic acid

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 0℃; for 4h;	100%
With benzene

: 98-82-8
Isopropylbenzene

: 79-30-1
isobutyryl chloride

: 72846-62-9
1-(4-isopropylphenyl)-2-methyl-1-propanone

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 20℃; for 2.5h; Inert atmosphere;	100%
With aluminium trichloride at 25℃; Product distribution;
With carbon disulfide; aluminium trichloride
Friedel-Crafts Acylation;
With aluminum (III) chloride In dichloromethane at 0℃; for 2h; Friedel-Crafts Acylation; Sealed tube; Inert atmosphere;

: 92-52-4
biphenyl

: 79-30-1
isobutyryl chloride

: 6976-20-1
1-([1,1′-biphenyl]-4-yl)-2-methylpropan-1-one

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane at 0 - 20℃; for 14.5h;	100%
With aluminium trichloride In carbon disulfide Friedel-Crafts acylation; Heating;	54%
With carbon disulfide; aluminium trichloride
With aluminium trichloride In carbon disulfide
With aluminum (III) chloride In 1,2-dichloro-ethane at 5 - 10℃; for 5h; Solvent; Temperature;

: 79-30-1
isobutyryl chloride

: 108-46-3
recorcinol

: 29048-54-2
1-(2,4-dihydroxyphenyl)-2-methyl-1-propanone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate at 20℃;	100%
at 90℃;
With aluminium trichloride; nitrobenzene at 40 - 50℃;

: 13059-93-3
monohydroxymethyl-alpha-terthiophene

: 79-30-1
isobutyryl chloride

: 26905-75-9
5-isobutyryloxymethyl-[2,2';5',2'']terthiophene

Conditions

Conditions	Yield
With pyridine In dichloromethane	100%

: 79-30-1
isobutyryl chloride

: 151929-68-9
methyl 2,6-anhydro-3-C-methyl-2-thio-β-L-mannopyranoside

: 151929-69-0
methyl 2,6-anhydro-4-O-isobutyryl-3-C-methyl-2-thio-β-L-mannopyranoside

Conditions

Conditions	Yield
With pyridine; dmap at 25℃; for 1.5h;	100%
With pyridine; dmap at 25℃; for 1.5h;	100%

: 1000334-09-7
N-[2-(6-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide hydrochloride

: 79-30-1
isobutyryl chloride

: 1000334-12-2
N-(3-(2-(acetylamino)ethyl)-4-hydroxy-2,3-dihydro-1H-inden-5-yl)-2-methylpropanamide

Conditions

Conditions	Yield
With pyridine at 0℃; for 3h;	100%

: 17422-33-2
6-chloroindole

: 79-30-1
isobutyryl chloride

: 1002095-56-8
1-(6-chloro-1H-indol-3-yl)-2-methyl-1-propanone

Conditions

Conditions	Yield
Stage #1: 6-chloroindole With methylmagnesium bromide In diethyl ether for 0.333333h; Stage #2: With zinc(II) chloride In diethyl ether for 0.5h; Stage #3: isobutyryl chloride In diethyl ether Further stages.;	100%
Stage #1: 6-chloroindole; methylmagnesium bromide In diethyl ether for 0.25h; Stage #2: With zinc(II) chloride In diethyl ether for 0.5h; Stage #3: isobutyryl chloride With ammonium chloride more than 3 stages;

: 15297-98-0, 41019-52-7, 41135-46-0
3-Hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione

: 79-30-1
isobutyryl chloride

: C19H20O5

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0℃; for 18h;	100%

: 892388-55-5
(S)-3-[(biphenyl-2-ylmethyl)-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester

: 79-30-1
isobutyryl chloride

: 892388-56-6
tert-butyl (3S)-3-[(biphenyl-2-ylmethyl)(isobutyryl)amino]pyrrolidine-1-carboxylate

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane at 70℃; for 2h;	100%
With triethylamine In 1,4-dioxane at 70℃; for 2h;
With triethylamine In 1,4-dioxane at 20℃;

: 367-12-4
2-fluorophenol

: 79-30-1
isobutyryl chloride

: 879339-58-9
2-fluorophenyl 2-methylpropionate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0℃; for 2h;	100%

: 280110-63-6, 782493-60-1
4-(N-hydroxycarbamimidoyl)piperidine-1-carboxylic acid tert-butyl ester

: 79-30-1
isobutyryl chloride

: C15H27N3O4

Conditions

Conditions	Yield
With triethylamine; dmap In dichloromethane at 5 - 20℃; for 18.25h;	100%

: 50541-93-0
4-amino-1-benzylpiperidine

: 79-30-1
isobutyryl chloride

: 312924-69-9
N-(1-benzylpiperidin-4-yl)isobutyramide

Conditions

Conditions	Yield
With sodium carbonate In dichloromethane at 20℃; for 2h;	100%
With sodium hydroxide In diethyl ether at 20℃;	96%
With triethylamine In dichloromethane at 20℃; for 1h;	60%
With triethylamine In dichloromethane at 0℃; Inert atmosphere;
With sodium hydroxide In diethyl ether; water at 0 - 20℃; for 18.25h;

: 114878-60-3
1-(2-chloro-4-nitro-phenyl)piperazine

: 79-30-1
isobutyryl chloride

: 354124-99-5
1-(4-(2-chloro-4-nitrophenyl)piperazin-1-yl)-2-methylpropan-1-one

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 2h;	100%

: 79-30-1
isobutyryl chloride

: 103-49-1
dibenzylamine

: 6284-09-9
2-methyl-N,N-bis(phenylmethyl)-propionamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 14h; Inert atmosphere;	100%
With triethylamine In diethyl ether at 0 - 20℃;	92%

: 1092113-85-3
(S)-N'-hydroxy-3-(9-methylthio-6-oxo-2,3,3a,4-tetrahydro-1H,6H-5,8,10,10b-tetraazabenzo[e]azulen-5-yl)benzamidine

: 79-30-1
isobutyryl chloride

: 1092113-86-4
(S)-5-[3-(5-isopropyl-1,2,4-oxadiazol-3-yl)phenyl]-9-methylthio-1,2,3,3a,4,5-hexahydro-5,8,10,10b-tetraazabenzo[e]azulen-6-one

Conditions

Conditions	Yield
With pyridine at 90℃;	100%

: 2065-23-8
methyl 2-phenoxyacetate

: 79-30-1
isobutyryl chloride

: methyl 4-(2,2-dimethylacetyl)phenoxyacetate

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 0℃; Friedel Crafts Acylation; Inert atmosphere;	100%

: 876954-00-6
(2S,4R)-4-[2-amino-6-(2-nitrophenoxy)-purin-9-yl]-2-(tert-butoxycarbonylmethoxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

: 79-30-1
isobutyryl chloride

: 876954-02-8
(2S,4R)-2-(tert-butoxycarbonylmethoxymethyl)-4-[2-isobutyrylamino-6-(2-nitrophenoxy)-purin-9-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With pyridine at 20℃; Cooling with ice;	100%

: 1076199-77-3
racemic 3-(3-N,N'-diisopropylamino-1-phenyl-propyl)-4-hydroxy-benzoic acid

: 79-30-1
isobutyryl chloride

: 1262778-55-1
2-(3-N,N-diisopropylamine-1-phenylpropyl)-4-carboxyphenol isobutyrate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 25 - 30℃;	100%
With triethylamine In dichloromethane at 25 - 30℃;

: 1292318-07-0
(4-(2-chloropyrimidin-4-yl)aniline)

: 79-30-1
isobutyryl chloride

: 1292318-08-1
N-[4-(2-chloropyrimidin-4-yl)phenyl]-2-methyl-propanamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 0.5h;	100%
With triethylamine In dichloromethane at 20℃; for 0.5h;	100%

: 1319068-06-8
[8-(4-fluoro-phenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-[di-(tert-butoxycarbonyl)]-amine

: 79-30-1
isobutyryl chloride

: 1319068-09-1
[8-(4-fluoro-phenyl)-7-isobutyryl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-[di-(tert-butoxycarbonyl)]-amine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 50℃; for 16h;	100%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 50℃; for 16h;	100%

Isobutyryl Chloride Specification

The Isobutyryl Chloride with CAS registry number of 79-30-1 is also known as Propanoyl chloride, 2-methyl-. The IUPAC name is 2-Methylpropanoyl chloride. It belongs to product categories of Organics; Biochemistry; Nucleosides, Nucleotides & Related Reagents; Protecting Agents for Hydroxyl and Amino Groups; Protecting Agents, Phosphorylating Agents & Condensing Agents; Acid Halides; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 201-194-1. In addition, the formula is C₄H₇ClO and the molecular weight is 106.55. This chemical is a colorless liquid and should be sealed in a dry place.

Physical properties about Isobutyryl Chloride are: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): 1.34; (3)ACD/LogD (pH 7.4): 1.34; (4)ACD/BCF (pH 5.5): 6.1; (5)ACD/BCF (pH 7.4): 6.1; (6)ACD/KOC (pH 5.5): 126.99; (7)ACD/KOC (pH 7.4): 126.99; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.406; (11)Molar Refractivity: 25.41 cm³; (12)Molar Volume: 103.4 cm³; (13)Surface Tension: 25.3 dyne/cm; (14)Density: 1.03 g/cm³; (15)Flash Point: 1.1 °C; (16)Enthalpy of Vaporization: 33.08 kJ/mol; (17)Boiling Point: 90.9 °C at 760 mmHg; (18)Vapour Pressure: 55.2 mmHg at 25 °C.

Preparation of Isobutyryl Chloride: it is prepared by reaction of isobutyric acid with thionyl chloride. Firstly, isobutyric acid is dropped into thionyl chloride under stirring. Secondly, the reaction mixture is heated to 80 °C for 30 minutes. At last, the mixture is distilled and product is obtained by collecting fraction of 92 °C.

Uses of Isobutyryl Chloride: it is used as intermediates in organic synthesis. It is used to produce 2-methyl-1-thiophen-2-yl-propan-1-one by reaction with thiophene. The reaction needs reagent tin(IV) chloride and the yield is about 75%.

The chemical is used to produce 2-methyl-1-thiophen-2-yl-propan-1-one by reaction with thiophene.

When you are using this chemical, please be cautious about it. As a chemical, it is highly flammable and toxic by inhalation. Besides, it may cause severe burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep away from sources of ignition and Do not breathe gas/fumes/vapour/spray. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)C(=O)Cl;
2. InChI: InChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3;
3. InChIKey: DGMOBVGABMBZSB-UHFFFAOYSA-N;

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LCLo	inhalation	11600mg/m3/6H (11600mg/m3)	LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)" SKIN AND APPENDAGES (SKIN): HAIR: OTHER LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA	National Technical Information Service. Vol. OTS0555053,

Product Name

Isobutyryl chloride

Synthetic route

Isobutyryl Chloride Specification

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