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

tert-Butyl chloroacetate

Related Products

Hot Products

Name

tert-Butyl chloroacetate

EINECS 203-506-1
CAS No. 107-59-5 Density 1.053 g/cm3
PSA 26.30000 LogP 1.56690
Solubility <0.1 g/L (20℃) Melting Point N/A
Formula C6H11ClO2 Boiling Point 157.5 °C at 760 mmHg
Molecular Weight 150.605 Flash Point 41.4 °C
Transport Information UN 2920 8/PG 2 Appearance clear colorless to yellow liquid
Safety 26-36/37/39-45-61-60-16-7/9 Risk Codes 20/21/22-34-50/53-36/37/38-10
Molecular Structure Molecular Structure of 107-59-5 (tert-Butyl chloroacetate) Hazard Symbols HarmfulXn,DangerousN
Synonyms

Aceticacid, chloro-, 1,1-dimethylethyl ester (9CI);Acetic acid, chloro-, tert-butylester (6CI,7CI,8CI);1,1-Dimethylethyl chloroacetate;Chloroacetic acid1,1-dimethylethyl ester;Chloroacetic acid tert-butyl ester;NSC 87891;

Article Data 22

tert-Butyl chloroacetate Synthetic route

79-11-8

chloroacetic acid

75-65-0

tert-butyl alcohol

107-59-5

tert-Butyl chloroacetate

Conditions
ConditionsYield
With dmap; bis-2-propyl carbonate; scandium tris(trifluoromethanesulfonate) In dichloromethane at -8 - 20℃; for 2h;95%
With cerium(IV) trifluoromethanesulfonate In tetrachloromethane at 25℃; for 8h; Esterification;90%
With Fe3O4/AlFe/Te nanocomposite In neat (no solvent) for 1h; Reflux;
79-04-9

chloroacetyl chloride

75-65-0

tert-butyl alcohol

107-59-5

tert-Butyl chloroacetate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 5 - 10℃; for 2h;92.4%
With aluminum oxide In benzene for 15h; Ambient temperature;75%
With 2,3-Dimethylaniline52%
79-11-8

chloroacetic acid

115-11-7

isobutene

107-59-5

tert-Butyl chloroacetate

Conditions
ConditionsYield
With sulfuric acid
540-88-5

acetic acid tert-butyl ester

79-11-8

chloroacetic acid

107-59-5

tert-Butyl chloroacetate

Conditions
ConditionsYield
With boron trifluoride diethyl etherate at 20℃; for 4h;
86-79-3

2-hydroxycarbazole

107-59-5

tert-Butyl chloroacetate

210410-32-5

tert-butyl 2-(9H-carbazol-2-yloxy)acetate

Conditions
ConditionsYield
With potassium carbonate In acetone at 60 - 70℃; for 16h;100%
Stage #1: 2-hydroxycarbazole With potassium carbonate In acetone at 20℃; for 0.5h;
Stage #2: tert-Butyl chloroacetate In acetone at 60 - 70℃; for 12h;
99%
371-42-6

4-Fluorothiophenol

107-59-5

tert-Butyl chloroacetate

212770-40-6

2-(4-fluoro-benzenesulfanyl)-acetic acid tert-butyl ester

Conditions
ConditionsYield
With dmap; potassium carbonate In DMF (N,N-dimethyl-formamide) at 20℃;100%
107-59-5

tert-Butyl chloroacetate

89694-10-0

2-methoxy-3-methyl-5-nitropyridine

1188407-19-3

tert-butyl 2-(6-methoxy-5-methyl-3-nitropyridin-2-yl)acetate

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran at -20 - 20℃; for 1h;100%
With potassium tert-butylate In tetrahydrofuran at -20 - -10℃;72%
With potassium tert-butylate In tetrahydrofuran Inert atmosphere;72%
With potassium tert-butylate In tetrahydrofuran at -18 - 25℃; Large scale reaction;
107-59-5

tert-Butyl chloroacetate

104-63-2

N-Benzylethanolamine

168263-75-0

tert-butyl 2-(benzyl-(2-hydroxyethyl)amino)-acetate

Conditions
ConditionsYield
With potassium carbonate; sodium iodide In acetonitrile Inert atmosphere; Reflux;100%
107-59-5

tert-Butyl chloroacetate

dibenzyl 4-(3-(tert-butoxy)-3-oxopropyl)-1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate

dibenzyl 4-(2-(tert-butoxy)-2-oxoethyl)-10-(3-(tert-butoxy)-3-oxopropyl)-1,4,7,10-tetraazacyclo-dodecane-1,7-dicarboxylate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 60℃; for 48h;100%
22246-17-9

7-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline

107-59-5

tert-Butyl chloroacetate

tert-butyl 2-(7′-methoxy-3′,4′-dihydro-1H-quinolin-2′-one-1′-yl)acetate

Conditions
ConditionsYield
Stage #1: 7-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.25h; Inert atmosphere;
Stage #2: tert-Butyl chloroacetate In N,N-dimethyl-formamide; mineral oil for 1.5h; Inert atmosphere;
100%

tert-Butyl chloroacetate Specification

The IUPAC name of this product is tert-butyl 2-chloroacetate . With the CAS registry number 107-59-5, it is also named as Chloroacetic acid tert-butyl ester ; Acetic acid, 2-chloro-, 1,1-dimethylethyl ester ; Acetic acid, chloro-, 1,1-dimethylethyl ester ; Acetic acid, chloro-, tert-butyl ester (8CI) .

The tert-Butyl chloroacetate is clear colorless to yellow liquid. The product's categories are API intermediates, C6 to C7, carbonyl compounds and esters. It is used for the condensation of glycidyl esters. It also can be used as the intermediate of medicine, pesticide and dye.

This product is flammable and harmful by inhalation, in contact with skin and if swallowed. It can cause burns. And it is also irritating to eyes, respiratory system and skin. In addition, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) This material and its container must be disposed of as hazardous waste. 

The tert-Butyl chloroacetate can be obtained by the following method. Adding the tert-butyl alcohol to the mixture of chloroacetyl chloride and N, N-dimethyl aniline , the temperature is kept below 30 °C. The reaction product is dumped into the water, then vacuum distillation after washing and drying. Collecting 48-49 °C (1.46kPa) fractions to obtain tert-butyl chloroacetate . The yield is 63% .

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.64 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.64 ; (4)ACD/LogD (pH 7.4): 1.64 ; (5)ACD/BCF (pH 5.5): 10.32 ; (6)ACD/BCF (pH 7.4): 10.32 ; (7)ACD/KOC (pH 5.5): 185.06 ; (8)ACD/KOC (pH 7.4): 185.06 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.425 ; (13)Molar Refractivity: 36.43 cm3 ; (14)Molar Volume: 142.4 cm3 ; (15)Polarizability: 14.44×10-24 cm3 ; (16)Surface Tension: 28.4 dyne/cm ; (17)Enthalpy of Vaporization: 39.41 kJ/mol ; (18)Vapour Pressure: 2.75 mmHg at 25°C ; (19)Rotatable Bond Count: 3 ; (20)Exact Mass: 150.044757 ; (21)MonoIsotopic Mass: 150.044757 ; (22)Topological Polar Surface Area: 26.3 ; (23)Heavy Atom Count: 9. People can use the following data to convert to the molecule structure. SMILES: ClCC(=O)OC(C)(C)C; InChI: InChI=1/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3.

The following is the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 4738mg/m3/4H (4738mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
International Journal of Toxicology. Vol. 19, Pg. 333, 2000.
rat LD50 oral 380mg/kg (380mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
International Journal of Toxicology. Vol. 19, Pg. 333, 2000.
rat LD50 skin 1414mg/kg (1414mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
International Journal of Toxicology. Vol. 19, Pg. 333, 2000.

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 107-59-5