T-BUTYL BROMOACETATE
T-Butyl Bromoacetate
CAS: 5292-43-3
Molecular Formula: C6H11BrO2
T-BUTYL BROMOACETATE - Names and Identifiers
| Name | T-Butyl Bromoacetate |
| Synonyms | T-BUTYL BROMOACETATE T-Butyl Bromoacetate tert-Butylbromoacetate tert-Butyl bromoacetate t-Butyl 2-bromo acetate Tert-butyl bromo acetate tert-Butyl 2-bromoacetate tert-Butyl α-bromoacetate tertiary butyl bromoacetate bromoacetic acid T-butyl ester 1,1-Dimethylethyl bromoacetate 2-Bromoacetic acid-t-butylester 1,1-Dimethylethyl 2-bromoacetate Bromoacetic acid tert-butyl ester |
| CAS | 5292-43-3 |
| EINECS | 226-133-6 |
| InChI | InChI=1/C6H11BrO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3 |
| InChIKey | BNWCETAHAJSBFG-UHFFFAOYSA-N |
T-BUTYL BROMOACETATE - Physico-chemical Properties
| Molecular Formula | C6H11BrO2 |
| Molar Mass | 195.05 |
| Density | 1.338 |
| Melting Point | 44-47 °C |
| Boling Point | 50°C10mm Hg(lit.) |
| Flash Point | 121°F |
| Water Solubility | Miscible with ethanol, chloroform and ethyl acetate. Immiscible with water. |
| Vapor Presure | 1.62hPa at 25℃ |
| Appearance | Liquid |
| Specific Gravity | 1.333 (20/4℃) |
| Color | Clear colorless to yellow |
| BRN | 1753010 |
| Storage Condition | 0-6°C |
| Sensitive | Lachrymatory |
| Refractive Index | n20/D 1.445(lit.) |
| Physical and Chemical Properties | density 1.208 boiling point 50 ° C. (10 torr) refractive index 1.444-1.446 flash point 49°C |
| Use | Used as pharmaceutical intermediates for the synthesis of amino acids and peptide compounds |
T-BUTYL BROMOACETATE - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S24/25 - Avoid contact with skin and eyes. S16 - Keep away from sources of ignition. |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 19 |
| TSCA | T |
| HS Code | 29159080 |
| Hazard Note | Irritant/Flammable/Lachrymatory |
| Hazard Class | 3 |
| Packing Group | III |
T-BUTYL BROMOACETATE - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | tert-butyl bromoacetate is a common alkylating agent and is a colorless to yellowish transparent liquid in a barrel. Used as a pharmaceutical intermediate. 1. tert-butyl bromoacetate is used as a pharmaceutical intermediate to synthesize amino acids and peptide compounds. 2. tert-butyl bromoacetate is a common alkylating agent. It is used to synthesize collagenase inhibitor (S,S,R)-(-)-actinonin. Construct to replace butyl as the research object. tert-butyl bromoacetate is used as a pharmaceutical intermediate to synthesize amino acids and peptide compounds. Conventional alkylation reagents are used to synthesize collagenase inhibitors (S,S,R)-(-)-actinonin; tert-butyl acetate intermediates, etc. |
| Preparation | Prepared by the reaction of bromoacetic acid and thionyl chloride and separated to obtain bromoacetyl chloride, and then reacted with tert-butanol at room temperature. |
| synthesis method | using bromoacetic acid and isobutylene as raw materials, Amberlyst15 strongly acidic cation exchange resin as catalyst, and tert-butanol as additive to synthesize tert-butyl bromoacetate, through orthogonal test, study the effect of 5 solvents on product yield and the inhibition of tert-butanol on isobutylene polymerization, and determine the best process conditions: dichloromethane as solvent, when the reaction time is 6 h, the reaction temperature is 10 ℃, the amount of catalyst is 12g, and the amount of tert-butanol is 4g. The yield of the product reached 94.2%. |
Last Update：2024-04-10 22:29:15
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