(2-HYDROXYETHYL)METHYLCARBAMIC ACID 1,1-DIMETHYLETHYL ESTER

Base Information

• Chemical Name: (2-HYDROXYETHYL)METHYLCARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
• CAS No.: 57561-39-4
• Molecular Formula: C8H17NO3
• Molecular Weight: 175.228
• Hs Code.: 2924199090
• Mol file: 57561-39-4.mol

Synonyms:N-T-BUTYLOXYCARBONYL-N-METHYL-AMINOETHANOL;N-(TERT-BUTOXYCARBONYL)-N-METHYLETHANOLAMINE;N-TERT-BUTYLOXYCARBONYL-N-METHYL-AMINOETHANOL;N-BOC-N-METHYL-ETHANOLAMINE;TERT-BUTYL N-(2-HYDROXYETHYL)-N-METHYLCARBAMATE;BOC-N-ME-AMINOETHANOL;BOC,ME-N-ET-OH;(2-HYDROXYETHYL)METHYLCARBAMIC ACID 1,1-DIMETHYLETHYL ESTER

Chemical Property of (2-HYDROXYETHYL)METHYLCARBAMIC ACID 1,1-DIMETHYLETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.00487mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 245.1°Cat760mmHg
• PKA: 14.67±0.10(Predicted)
• Flash Point: 102.1°C
• PSA: 49.77000
• Density: 1.037g/cm³
• LogP: 0.84560
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in diochloromethane. Slightly soluble in water.

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(tert-Butoxycarbonyl)-N-methylethanolamine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Uses: N-Boc-N-methylethanolamine is an substituent in the synthesis of anticancer agent, an orally bioavailable small molecule inhibitor of signal transducer and activator of transcription.

Technology Process of (2-HYDROXYETHYL)METHYLCARBAMIC ACID 1,1-DIMETHYLETHYL ESTER

There total 7 articles about (2-HYDROXYETHYL)METHYLCARBAMIC ACID 1,1-DIMETHYLETHYL ESTER which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

(2-hydroxyethyl)(methyl)amine (109-83-1) + di-tert-butyl dicarbonate (24424-99-5) → methyl(2-hydroxyethyl)carbamic acid tert-butyl ester (57561-39-4)

Guidance literature:

In acetonitrile; at 20 ℃;

DOI:10.1021/jo000257f

Reference yield: 95.0%

→ methyl(2-hydroxyethyl)carbamic acid tert-butyl ester (57561-39-4)

Guidance literature:

Reference yield: 85.0%

(2-hydroxyethyl)(methyl)amine (109-83-1) → methyl(2-hydroxyethyl)carbamic acid tert-butyl ester (57561-39-4)

Guidance literature:

With di-tert-butyl dicarbonate; In tetrahydrofuran; water; at 20 ℃; for 18h;

upstream raw materials:

(2-hydroxyethyl)(methyl)amine

di-tert-butyl dicarbonate

S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine

[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yloxy)-ethyl]-methyl-carbamic acid tert-butyl ester

Downstream raw materials:

3-{4-[2-(tert-butoxycarbonyl-methyl-amino)-ethoxy]-phenyl}-propionic acid methyl ester

2-(methylamino)ethyl 3-chlorobenzoate hydrochloride

C₁₅H₂₁ClN₂O₅

tert-butyl N-{3-[N-(4-chlorobenzyl)-N-methylaminomethyl]phenoxyethyl}-N-methylcarbamate

Refernces

• 1、 Batisse, Cornélie,Dransart, Estelle,Ait Sarkouh, Rafik,Brulle, Laura,Bai, Siau-Kun,Godefroy, Sylvie,Johannes, Ludger,Schmidt, Frédéric. "A new delivery system for auristatin in STxB-drug conjugate therapy". . p. 483 - 491. Retrieved 2015.
• 2、 Trützschler, Anne-Kristin,Bus, Tanja,Reifarth, Martin,Brendel, Johannes C.,Hoeppener, Stephanie,Traeger, Anja,Schubert, Ulrich S.. "Beyond Gene Transfection with Methacrylate-Based Polyplexes - The Influence of the Amino Substitution Pattern". . p. 2181 - 2194. Retrieved 2018.
• 3、 -. "Kras-G12C inhibitor heterocyclic compounds". Paragraph 0626-0632. . Retrieved 2021/06/23.
• 4、 -. "CGRP ANTAGONIST COMPOUNDS". Page/Page column 51. . Retrieved 2020/12/30.