Tert-butyl bis(2-chloroethyl)carbamate

Product Name: Tert-butyl bis(2-chloroethyl)carbamate
CAS No.: 118753-70-1
Chemical Name: Tert-butyl bis(2-chloroethyl)carbamate
Synonyms: TERT-BUTYL BIS(2-CHLOROETHYL)CARBAMATE;N-Boc-N;N-Boc-N,N-bis(2-chL;N-bis(2-chloroethyl)amine;N-Boc-Bis(2-chloroethyl) amine;N-BOC-N,N-BIS(2-CHLOROETHYL)AMINE;N-BOC-N,N-Bis(2-chloroethyl)amine 95%;N-Boc-N,N-bis(2-chloroethyl)amine ,95%;CarbaMic acid, bis(2-chloroethyl)-, 1,1-;Bis(2-chloroethyl)-tert-butoxycarbonylaMine
CBNumber: CB6715694
Molecular Formula: C9H17Cl2NO2
Formula Weight: 242.14
MOL File: 118753-70-1.mol

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Tert-butyl bis(2-chloroethyl)carbamate Property

Boiling point:: 290.7±33.0 °C(Predicted)
Density: 1.149±0.06 g/cm3(Predicted)
Flash point:: 130 °C
storage temp.: Sealed in dry,Store in freezer, under -20°C
pka: -1.73±0.70(Predicted)
form: liquid
color: Hazy/turbid
Specific Gravity: 1.14
InChI: InChI=1S/C9H17Cl2NO2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3
InChIKey: FQZLNQAUUMSUHT-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)N(CCCl)CCCl

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Safety

HS Code: 2933199090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: B601873
Product name: N-Boc-N,N-bis(2-chloroethyl)amine
Packaging: 10mg
Price: $45
Updated: 2021/12/16

Synthonix

Product number: B3954
Product name: tert-ButylN,N-bis(2-chloroethyl)carbamate
Purity: 95%
Packaging: 1g
Price: $15
Updated: 2021/12/16

Synthonix

Product number: B3954
Product name: tert-ButylN,N-bis(2-chloroethyl)carbamate
Purity: 95%
Packaging: 5g
Price: $20
Updated: 2021/12/16

Apolloscientific

Product number: OR315132
Product name: N-BOC-N,N-Bis(2-chloroethyl)amine
Purity: 95%
Packaging: 5g
Price: $52
Updated: 2021/12/16

Synthonix

Product number: B3954
Product name: tert-ButylN,N-bis(2-chloroethyl)carbamate
Purity: 95%
Packaging: 25g
Price: $60
Updated: 2021/12/16

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Tert-butyl bis(2-chloroethyl)carbamate Chemical Properties,Usage,Production

Uses

Tert-butyl bis(2-chloroethyl)carbamate is a derivative of bis(2-chloroethyl)amine, which is used as a medicinal chemistry and organic synthesis intermediate, where the Boc group in the structure is readily removed to obtain the active carboxyl group in the organic synthesis transformation. And bis(2-chloroethyl)amine is an anticancer drug that acts as a DNA alkylating agent. It induces apoptosis in human hepatocellular carcinoma cells. It has been shown to be effective against drug-resistant mutants and is used in the treatment of tuberculosis.

Synthesis

24424-99-5

821-48-7

118753-70-1

In a 500 mL three-necked flask, 100 g of bis(2-chloroethyl)amine hydrochloride (IV) was added and dissolved in 300 mL of dichloromethane, followed by the addition of 113 g of triethylamine, and the slow dropwise addition of 147 g of di-tert-butyl dicarbonate (Boc anhydride) with continuous stirring, and the reaction was carried out for 4-6 hours. After completion of the reaction, 200 mL of purified water was added for liquid-liquid separation, followed by washing the organic phase with 200 mL of saturated sodium chloride solution and drying the organic layer with anhydrous sodium sulfate. After drying, concentration under reduced pressure afforded 133 g of tert-butyl N,N-bis(2-chloroethyl)carbamate (V) in 98% yield.

References

[1] Tetrahedron, 2004, vol. 60, # 22, p. 4875 - 4878
[2] Patent: US2003/187020, 2003, A1
[3] Patent: WO2006/46024, 2006, A1. Location in patent: Page/Page column 146
[4] Patent: WO2007/125321, 2007, A2. Location in patent: Page/Page column 140-141
[5] Patent: US2003/229067, 2003, A1. Location in patent: Page 26

Tert-butyl bis(2-chloroethyl)carbamate Preparation Products And Raw materials

Raw materials

Di-tert-butyl dicarbonate Triethylamine Diethyl ether Bis(2-chloroethyl)amine hydrochloride

Preparation Products

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Tert-butyl bis(2-chloroethyl)carbamate Suppliers

China 175 India 7 United Kingdom 3 United States 11 Global 196

Accela ChemBio Inc.

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View Lastest Price from Tert-butyl bis(2-chloroethyl)carbamate manufacturers

Sach biotech Co.,Ltd

Product: Tert-butyl bis(2-chloroethyl)carbamate 118753-70-1
Price: US $223.00-200.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 5mt
Release date: 2025-06-11

Career Henan Chemical Co

Product: N-Boc-N,N-bis(2-chloroethyl)amine 118753-70-1
Price: US $8.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 10tons
Release date: 2018-12-24

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tert-Butyl N,N-bis(2-chloroethyl)carbamate - [B3954]

118753-70-1

C9H17Cl2NO2

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