Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3,3-Dimethylbutyryl chloride

Related Products

Hot Products

Name

3,3-Dimethylbutyryl chloride

EINECS 230-356-4
CAS No. 7065-46-5 Density 0.988 g/cm3
PSA 17.07000 LogP 2.18800
Solubility Reacts with water. Melting Point N/A
Formula C6H11ClO Boiling Point 131.8 °C at 760 mmHg
Molecular Weight 134.606 Flash Point 30.2 °C
Transport Information UN 2924 3/PG 2 Appearance Colorless liquid
Safety 26-36/37/39-45 Risk Codes 10-24
Molecular Structure Molecular Structure of 7065-46-5 (3,3-Dimethylbutyryl chloride) Hazard Symbols CorrosiveC
Synonyms

Butyrylchloride, 3,3-dimethyl- (6CI,7CI,8CI);3,3-Dimethylbutanoic acid chloride;3,3-Dimethylbutanoyl chloride;3,3-Dimethylbutyric acid chloride;tert-Butylacetyl chloride;

Article Data 45

3,3-Dimethylbutyryl chloride Synthetic route

1070-83-3

tert-Butylacetic acid

7065-46-5

3,3-dimethylbutanoic acid chloride

Conditions
ConditionsYield
With thionyl chloride at 25℃; for 20h;86%
With thionyl chloride for 2.5h; Heating;76.2%
With thionyl chloride
217300-12-4

2-Hydrazono-3,3-dimethyl-butyric acid

7065-46-5

3,3-dimethylbutanoic acid chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: KOH / Heating
2: SOCl2
View Scheme
815-17-8

trimethylpyruvic acid

7065-46-5

3,3-dimethylbutanoic acid chloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: N2H4 / triethylene glycol
2: KOH / Heating
3: SOCl2
View Scheme
4379-33-3

2-(tert-butyl)malonic acid

7065-46-5

3,3-dimethylbutanoic acid chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: SOCl2
View Scheme
107-39-1

2,4,4-trimethyl-1-pentene

7065-46-5

3,3-dimethylbutanoic acid chloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: Cr2O3-H2SO4
2: NaOBr
3: SOCl2
View Scheme
590-50-1

4,4-dimethyl-pentan-2-one

7065-46-5

3,3-dimethylbutanoic acid chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NaOBr
2: SOCl2
View Scheme
7719-09-7

thionyl chloride

1070-83-3

tert-Butylacetic acid

7065-46-5

3,3-dimethylbutanoic acid chloride

Conditions
ConditionsYield
In dichloromethane at 25℃; for 12h;
509150-37-2

ethyl 5-amino-1-(2-fluorobenzyl)-1H-indole-2-carboxylate

7065-46-5

3,3-dimethylbutanoic acid chloride

509150-38-3

ethyl 5-[(3,3-dimethylbutanoyl)-amino]-1-(2-fluorobenzyl)-1H-indole-2-carboxylate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃;100%
With triethylamine In dichloromethane at 0 - 20℃;98%
5-(2-benzyloxy-ethylamino)-benzo[b]thiophene-2-carboxylic acid methyl ester

5-(2-benzyloxy-ethylamino)-benzo[b]thiophene-2-carboxylic acid methyl ester

7065-46-5

3,3-dimethylbutanoic acid chloride

910791-71-8

5-[(2-benzyloxy-ethyl)-(3,3-dimethylbutyryl)-amino]-benzo[b]thiophene-2-carboxylic acid methyl ester

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h;100%
7065-46-5

3,3-dimethylbutanoic acid chloride

30273-42-8

2-methyl-4-bromo-6-chloroaniline

1009344-73-3

N-(4-Bromo-2-chloro-6-methylphenyl)-3,3-dimethyl butanamide

Conditions
ConditionsYield
With triethylamine In acetonitrile at 20℃; for 4h;100%

3,3-Dimethylbutyryl chloride Specification

This chemical is called Butanoyl chloride, 3,3-dimethyl-, and its CAS registry number is 7065-46-5. With the molecular formula of C6H11ClO, its molecular weight is 134.61. Additionally, it's used for organic synthesis.

Other characteristics of the Butanoyl chloride, 3,3-dimethyl- can be summarised as followings: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 28.5; (6)ACD/BCF (pH 7.4): 28.5; (7)ACD/KOC (pH 5.5): 382.79; (8)ACD/KOC (pH 7.4): 382.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 34.69 cm3; (15)Molar Volume: 136.1 cm3; (16)Polarizability: 13.75×10-24cm3; (17)Surface Tension: 26.7 dyne/cm; (18)Density: 0.988 g/cm3; (19)Flash Point: 30.2 °C; (20)Enthalpy of Vaporization: 36.94 kJ/mol; (21)Boiling Point: 131.8 °C at 760 mmHg; (22)Vapour Pressure: 9.14 mmHg at 25°C.

Production method of this chemical: The Butanoyl chloride, 3,3-dimethyl- could be obtained by the reactant of 3,3-dimethyl-butyric acid. This reaction needs the reagent of SOCl2.

Uses of this chemical: The Butanoyl chloride, 3,3-dimethyl- could react with ethanol, and obtain the 3,3-dimethyl-butyric acid ethyl ester. This reaction needs the reagent of Et3N, and the solvent of diethyl ether. The yield is 58 %. In addition, this reaction should be taken for 45 minutes at the temperature of 0-20 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is flammable. It causes burns. You should wear suitable protective clothing to avoid contacting with skin and eyes. 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.SMILES: ClC(=O)CC(C)(C)C
2.InChI: InChI=1/C6H11ClO/c1-6(2,3)4-5(7)8/h4H2,1-3H3
3.InChIKey: BUTKIHRNYUEGKB-UHFFFAOYAV

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 7065-46-5