Carbamic acid, (2-chloroethyl)-, 1,1-dimethylethyl ester (9CI)

Product Name: Carbamic acid, (2-chloroethyl)-, 1,1-dimethylethyl ester (9CI)
CAS No.: 71999-74-1
Chemical Name: Carbamic acid, (2-chloroethyl)-, 1,1-dimethylethyl ester (9CI)
Synonyms: Lobitridol Impurity 7;1-Boc-2-chloroethylamine;N-Boc-2-Chloroethylamine;2-(Boc-amino)ethyl Chloride;N-Boc-2-chloroethylamine, 97%;tert-butyl 2-chloroethylcarbamate;N-BOC-2-chloroethylamine - [B6380];2-Chloroethylamine, N-BOC protected;N-t-Butoxycarbonyl-2-chloroethylaMine;tert-Butyl N-(2-chloroethyl)carbamate
CBNumber: CB01056956
Molecular Formula: C7H14ClNO2
Formula Weight: 179.64
MOL File: 71999-74-1.mol

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Carbamic acid, (2-chloroethyl)-, 1,1-dimethylethyl ester (9CI) Property

Melting point:: Oil°
Boiling point:: 75℃ (8 Torr)
Density: 1.070±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Store in freezer, under -20°C
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Colourless to Yellow Oil to Off-White to Yellow Semi-Solid
pka: 11.93±0.46(Predicted)
Appearance: White to off-white Solid

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Safety

HazardClass: IRRITANT
HS Code: 2922498590

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: B690645
Product name: tert-Butyl(2-Chloroethyl)carbamate
Packaging: 5g
Price: $120
Updated: 2021/12/16

Matrix Scientific

Product number: 048559
Product name: tert-Butyl N-(2-chloroethyl)carbamate
Purity: 95+%
Packaging: 25g
Price: $124
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0116913
Product name: (2-CHLORO-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
Purity: 95.00%
Packaging: 1G
Price: $132.3
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB140411
Product name: tert-Butyl (2-chloroethyl)carbamate
Packaging: 25g
Price: $196
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB140411
Product name: tert-Butyl (2-chloroethyl)carbamate
Packaging: 50g
Price: $333
Updated: 2021/12/16

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Carbamic acid, (2-chloroethyl)-, 1,1-dimethylethyl ester (9CI) Chemical Properties,Usage,Production

Chemical Properties

Clear Yellow Oil

Uses

tert-Butyl (2-chloroethyl)carbamate is used in the preparation of neurotransmitter receptor agonists with antagonist potential as well as anti-cancer agents.

Synthesis

24424-99-5

870-24-6

71999-74-1

In a round-bottom flask, 2-chloroethylamine hydrochloride (2 g, 17.0 mmol) and triethylamine (Et3N, 2.37 mL, 11.0 mmol) were dissolved in anhydrous dichloromethane (CH2Cl2, 24 mL). Di-tert-butyl dicarbonate (Boc2O, 3.6 mL, 15.3 mmol) was slowly added at 0 °C under the protection of nitrogen (N2). The reaction mixture was stirred at room temperature for 4 hours. Upon completion of the reaction, the mixture was washed sequentially with water (H2O) and brine, dried over anhydrous sodium sulfate (Na2SO4), filtered, and concentrated under reduced pressure to afford N-Boc-2-chloroethylamine as a dark liquid in a yield of 2.91 g (16.21 mmol, 99% yield), which was used directly in the next step of the reaction. The product was confirmed by infrared spectroscopy (IR, pure): 3347, 2924, 2854, 2361, 2342, 1725, 1709, 1503, 1462 cm-1. nuclear magnetic resonance hydrogen spectrum (1H NMR, 400 MHz, CDCl3): δ = 1.18 [s, 9H, C(CH3)3], 3.36-3.48 (m, 2H. CH2NH), 3.49-3.63 (m, 2H, ClCH2), 4.93 (br s, 1H, NHCO). Nuclear magnetic resonance carbon spectrum (13C NMR, 100 MHz, CDCl3): δ = 28.2 [C(CH3)3], 32.8 (CH2NH), 45.7 (CH2Cl), 79.8 [C(CH3)3], 155.8 (C=O). Elemental analysis (C7H14ClNO2) calculated values: C, 46.80; H, 7.86; N, 7.80. measured values: C, 46.91; H, 7.89; N, 7.74.

References

[1] Journal of Medicinal Chemistry, 2014, vol. 57, # 18, p. 7731 - 7757
[2] Journal of Medicinal Chemistry, 2003, vol. 46, # 10, p. 1845 - 1857
[3] Synthesis (Germany), 2015, vol. 47, # 23, p. 3767 - 3775
[4] Journal of Polymer Science, Part A: Polymer Chemistry, 2018, vol. 56, # 19, p. 2154 - 2160
[5] Patent: WO2009/61131, 2009, A2. Location in patent: Page/Page column 81-82

Carbamic acid, (2-chloroethyl)-, 1,1-dimethylethyl ester (9CI) Preparation Products And Raw materials

Raw materials

Preparation Products

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Carbamic acid, (2-chloroethyl)-, 1,1-dimethylethyl ester (9CI) Suppliers

Canada 1 China 102 Europe 1 India 6 United Kingdom 2 United States 9 Global 121

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View Lastest Price from Carbamic acid, (2-chloroethyl)-, 1,1-dimethylethyl ester (9CI) manufacturers

Career Henan Chemical Co

Product: Carbamic acid, (2-chloroethyl)-, 1,1-dimethylethyl ester (9CI) 71999-74-1
Price: US $7.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100KG
Release date: 2018-08-20

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Carbamic acid, (2-chloroethyl)-, 1,1-dimethylethyl ester (9C

71999-74-1

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