TERT-BUTYL N-[3-(AMINOMETHYL)BENZYL]CARBAMATE

TERT-BUTYL N-[3-(AMINOMETHYL)BENZYL]CARBAMATE - Names and Identifiers

Name	TERT-BUTYL N-[3-(AMINOMETHYL)BENZYL]CARBAMATE
Synonyms	N-Boc-3-(aminomethyl)benzylamine 1-(N-BOC-AMINOMETHYL)-3-(AMINOMETHYL) BE tert-Butyl 3-(Aminomethyl)benzylcarbamate tert-Butyl 3-(Aminomethyl)benzylcarbamate 1-(N-BOC-AMINOMETHYL)-3-(AMINOMETHYL)BENZENE TERT-BUTYL N-[3-(AMINOMETHYL)BENZYL]CARBAMATE N-tert-Butoxycarbonyl-1,3-bis(aMinoMethyl)benzene (3-AMINOMETHYL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER N-[[3-(AMinoMethyl)phenyl]Methyl]carbaMic Acid 1,1-DiMethylethyl Ester
CAS	108467-99-8
InChI	InChI=1/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-5-10(7-11)8-14/h4-7H,8-9,14H2,1-3H3,(H,15,16)

TERT-BUTYL N-[3-(AMINOMETHYL)BENZYL]CARBAMATE - Physico-chemical Properties

Molecular Formula	C13H20N2O2
Molar Mass	236.31
Density	1.06g/mLat 25°C(lit.)
Melting Point	61-64 °C
Boling Point	250°C(lit.)
Flash Point	>230°F
Solubility	Dichloromethane, Ethyl Acetate, Methanol
Vapor Presure	4.45E-06mmHg at 25°C
Appearance	Oil
Color	Yellow
pKa	12.21±0.46(Predicted)
Storage Condition	under inert gas (nitrogen or Argon) at 2–8 °C
Refractive Index	n20/D 1.523(lit.)
Physical and Chemical Properties	WGK Germany:3

TERT-BUTYL N-[3-(AMINOMETHYL)BENZYL]CARBAMATE - Risk and Safety

UN IDs	UN3259
WGK Germany	3

TERT-BUTYL N-[3-(AMINOMETHYL)BENZYL]CARBAMATE - Introduction

N-[3-(aminomethyl) benzyl] carbamic acid tert-butyl ester (chemical formula: C14H22N2O2) is an organic compound, often abbreviated as NBOMe, with the following properties:

-Appearance: NBOMe is a white crystalline solid;
-Solubility: It has certain solubility in common organic solvents;
-Melting point: about 100-120 degrees Celsius.

The main use of NBOMe is as a laboratory reagent and research chemicals to study the interaction between receptors and drugs in nerve conduction, the function of neurotransmitters, etc.

The preparation method of NBOMe is relatively complicated. Here is a brief introduction to a common synthetic route:

1. condensing benzylamine with formaldehyde to prepare N-benzylcarbinol amine;
2. Reaction of N-benzylcarbinol amine with tert-butyl alcohol ester to produce tert-butyl N-[3-(aminomethyl) benzyl] carbamate.

It should be noted that NBOMe and its preparation intermediates have high toxicity and irritation. They should be synthesized in a suitable laboratory environment and operating conditions, and the relevant safety operating procedures should be strictly followed.

Last Update：2024-04-09 19:05:44