Carbamicacid, [(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester (9CI) - Names and Identifiers
Name | Carbamic acid,N-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester
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Synonyms | N-Boc-4-cyanobenzylamine 4-BOC-AMINOMETHYL-BENZONITRILE Tert-Butyl 4-Cyanobenzylcarbamate TERT-BUTYL 4-CYANOBENZYLCARBAMATE tert-butyl N-[(4-cyanophenyl)methyl]carbamate Carbamic acid,N-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester Carbamic acid, N-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester Carbamicacid, [(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester (9CI)
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CAS | 66389-80-8
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Carbamicacid, [(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester (9CI) - Physico-chemical Properties
Molecular Formula | C13H16N2O2
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Molar Mass | 232.28 |
Density | 1.10±0.1 g/cm3(Predicted) |
Melting Point | 90-92 °C |
Boling Point | 392.9±35.0 °C(Predicted) |
Flash Point | 191.4 °C |
Water Solubility | at 25 deg C (mg/L): 102.1 |
pKa | 11.91±0.46(Predicted) |
Storage Condition | 2-8°C |
Carbamicacid, [(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester (9CI) - Introduction
Carbamic acid,N-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester is an organic compound whose chemical structure consists of a N-Boc group (tert-butoxycarbonyl) linked to a 4-aminomethylbenzonitrile group. The following is an introduction to the nature, use, preparation and safety information of Carbamic acid,N-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester:
Nature:
-Molecular formula: C15H18N2O2
-Molecular weight: 258.32g/mol
-Appearance: White crystalline solid
-Melting point: 57-60 ℃
-Boiling point: 440.1 ℃
-Solubility: Carbamic acid,N-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester is soluble in some organic solvents (such as ether, dimethylformamide), but insoluble in water.
Use:
Carbamic acid,N-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester is widely used in the field of organic synthesis, often as intermediates or reagents:
-as a drug raw material for the synthesis of anti-tumor, anti-virus and anti-tuberculosis drugs.
-As an intermediate in organic synthesis, it can be used to synthesize other organic compounds, such as esters, ethers, amines, etc.
Preparation Method:
The preparation method of Carbamic acid,N-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester is as follows:
4-aminomethylbenzonitrile and bis (tert-butyl) di (1-methylethyl) carbonate were reacted under alkaline conditions to obtain the Carbamic acid,N-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyyl ester.
Safety Information:
The safe use of Carbamic acid,N-[(4-cyanophenyl)methyl]-, 1,1-dimenthyyl ester should follow the following points:
-The compound may be irritating to the skin, eyes and respiratory tract. After contact, rinse with plenty of water.
-When using or handling the compound, take necessary protective measures, such as wearing chemical protective glasses, protective gloves and protective masks.
-should be operated in a well-ventilated place, avoid inhalation of its vapor or dust.
-The compound should be stored in a dry, cool place away from sources of fire and open flames.
-In the laboratory or industrial production process, should follow the relevant safety procedures and preventive measures.
Last Update:2024-04-09 02:00:47