Di-tert-butyl dicarbonate manufacturers and suppliers

Di-tert-butyl dicarbonate suppliers

Properties

Melting point:: 23 °C (lit.)

Boiling point:: 56-57 °C/0.5 mmHg (lit.)

Density: 0.95 g/mL at 25 °C (lit.)

vapor pressure: 3.85Pa at 25℃

refractive index: n20/D 1.409(lit.)

Flash point:: 99 °F

storage temp.: 2-8°C

solubility: Chloroform (Sparingly), Methanol (Slightly)

form: Low Melting Crystalline Solid

color: White

Specific Gravity: 0.950

Water Solubility: Miscible with decalin, toluene, carbon tetrachloride, tetrahydrofuran, dioxane, alcohols, acetone, acetonitrile and dimethylformamide. Immiscible with water.

Sensitive: Moisture Sensitive

BRN: 1911173

Stability:: Acid Sensitive

InChIKey: DYHSDKLCOJIUFX-UHFFFAOYSA-N

LogP: 1.87 at 25℃

Safety Information

Symbol(GHS): GHS02,GHS05,GHS06

Signal word: Danger

Hazard statements: H226-H315-H317-H318-H330-H335

Precautionary statements: P210-P233-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Hazard Codes: T+,T,F,Xi,F+

Risk Statements: 11-19-26-36/37/38-43-10-40

Safety Statements: 16-26-28-36/37-45-7/9-37/39-24-36/37/39-33

RIDADR: UN 2929 6.1/PG 1

WGK Germany: 3

RTECS: HT0230000

F: 4.4-10-21

Autoignition Temperature: 460 °C

Hazard Note: Flammable/Irritant/Very Toxic

TSCA: Yes

HazardClass: 6.1

PackingGroup: I

HS Code: 29209010

Toxicity: LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 2000 mg/kg

Use

Di-tert-butyl dicarbonate (Boc2O) and di-tert-butyl tricarbonate ((BocO)2CO) have been used as amine carbonylating reagents to obtain linear or branched aliphatic isocyanates. most of the known methods for transforming amines into isocyanates are not mild enough and furnish undefined products as a result of uncontrolled side reactions. However, 4-dimethylaminopyridine (DMAP)-catalyzed reaction with activated carbonates as C1 building blocks constitutes a convenient laboratory method for the phosgene-free isocyanation of amines. A procedure has been described whereby alkyl- and arylamines are converted into isocyanates in high yields by reaction with activated carbonates (for example, di-tert-butyl dicarbonate, Boc2O) in the presence of a catalytic amount of a nucleophilic nitrogen base at room temperature. Di-tert-butyl dicarbonate (Boc2O) is a widely used reagent for introducing protecting groups in peptide synthesis. The reaction of substituted anilines with Boc2O in the presence of a stoichiometric amount of 4-dimethylaminopyridine (DMAP) in an inert solvent (acetonitrile, dichloromethane, ethyl acetate, tetrahydrofuran, toluene) at room temperature leads to aryl isocyanates in almost quantitative yields within 10 min.

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