Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate

Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate - Names and Identifiers

Name	Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate
Synonyms	Methyl-4- (N-BOC-aMidino) benzoate Methyl-4-[(N-BOC-amidino)]benzoate Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate Methyl 4-(N-(tert-butoxycarbonyl)carbaMiMidoyl)benzoate methyl 4-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoate Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]iminomethyl]-, methyl ester
CAS	135321-84-5

Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate - Physico-chemical Properties

Molecular Formula	C14H18N2O4
Molar Mass	278.3
Density	1.15±0.1 g/cm3(Predicted)
pKa	9.73±0.46(Predicted)
Storage Condition	2-8°C

Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate - Introduction

Methyl 4-(N-tert-butoxycarbonyl) amidinobenzoate, chemical formula C12H17N1O4, abbreviated as BTMOC. The following is an introduction to its nature, use, preparation and safety information:

Nature:
1. Appearance: BTMOC is a colorless to light yellow liquid.
2. Solubility: It can be soluble in non-polar solvents, such as petroleum ether and ether, but it is difficult to dissolve in polar solvents, such as water and alcohols.
3. Stability: BTMOC is relatively stable at room temperature, but may decompose under light and high temperature conditions.

Use:
1. As a pharmaceutical intermediate: BTMOC can be used as an intermediate for the synthesis of drugs and bioactive molecules, especially in the synthesis of amino acids and peptides.
2. As a protecting group: BTMOC can be used as an amino protecting group to protect the amino functional group from being affected by other reagents during the synthesis of compounds.

Preparation Method:
The synthesis of BTMOC is generally carried out by the following steps:
1. First, methyl benzoate is reacted with tert-butoxyamine to produce a carboxylic ester compound.
2. Then, the carboxylic ester compound is subjected to reaction and purification steps to obtain the final BTMOC product.

Safety Information:
The use of BTMOC is subject to certain safety procedures:
1. Avoid contact with skin and eyes, and ensure adequate ventilation.
2. Pay attention to fire and explosion prevention measures during use and storage, and avoid contact with oxidants and strong acids.
3. Pay attention to the use of personal protective equipment, such as wearing protective gloves and glasses.
4. Seek medical help immediately if inhaled or eaten.

Last Update：2024-04-09 21:01:54