1795-48-8 Usage
Chemical Properties
Colorless liquid
Uses
Isopropyl isocyanate is used as a reagent in the preparation of androgen receptor antagonist for prostate cancer treatment. It is also used in the synthesis of selective dual inhibitor of mammalian target of rapamycin (mTORC1 and mTORC2). Further, it serves as a reagent in the synthesis of O-aryl N-isopropylcarbamates. In addition to this, it is used as a derivatization reagent during the stereoisomeric analysis of secondary alcohols.
General Description
A colorless liquid with a pungent odor. Insoluble in water. Flash point near 60°F. Very toxic by ingestion and inhalation. Vapors are heavier than air. Used to make other chemicals.
Air & Water Reactions
Highly flammable. Insoluble in water.
Reactivity Profile
Isocyanates and thioisocyanates, such as Isopropyl isocyanate, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
Health Hazard
TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
Fire Hazard
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.
Check Digit Verification of cas no
The CAS Registry Mumber 1795-48-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,7,9 and 5 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1795-48:
(6*1)+(5*7)+(4*9)+(3*5)+(2*4)+(1*8)=108
108 % 10 = 8
So 1795-48-8 is a valid CAS Registry Number.
InChI:InChI=1/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3
1795-48-8Relevant articles and documents
A single isocyanate preparation method and system (by machine translation)
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Paragraph 0077; 0078; 0079; 0080; 0084, (2018/06/15)
The invention relates to a single-isocyanate preparation method and system, the method using an excess of phosgene with the corresponding [...] phosgenation reaction, the obtained reaction solution through the mentioned after the hydrogen chloride escapes the carbonyl chloride, phosgene with the isocyanate to realize the complete separation of, excess phosgene can achieve the goal of recycling. In the phosgene escapes after cracking of the reaction liquid obtained by the pyrolysis gas inert solvent for [...], obtaining the corresponding isocyanate solution, follow-up separation can obtain the qualified isocyanate. The method for preparing the single isocyanate process with high yield and low solid the characteristics of the product waste. (by machine translation)
Synthetic method of isopropyl isocyanate
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Paragraph 0028-0029, (2017/10/07)
The invention discloses a synthetic method of isopropyl isocyanate, which includes steps of selecting isopropyl carbamyl chloride; reacting isopropyl carbamyl chloride in organic solvent for 4-15 hours at 50-160 DEG C under the catalysis of catalyst, thermally decomposing to obtain isopropyl isocyanate; the reaction equation is shown in the specification. The synthetic method has advanced technical route, and avoids virulent phosgene and superpalite; the synthetic method has advantages of being simple and safe in operation, high in reflection yield, low in production cost, basically free from three wastes, and great in practicing value and social and economic benefits.
Synthesis of Amides and Phthalimides via a Palladium Catalyzed Aminocarbonylation of Aryl Halides with Formic Acid and Carbodiimides
Seo, Yong-Sik,Kim, Dong-Su,Jun, Chul-Ho
supporting information, p. 3508 - 3512 (2016/12/26)
A novel method for the preparation of amides and phthalimides has been developed. The process involves a palladium catalyzed aminocarbonylation of an aryl halide, using a carbodiimide and formic acid as the carbonyl source. Experimental data suggest that the mechanistic pathway for this process involves in-situ generation of carbon monoxide from the reaction of formic acid with a carbodiimide in the presence of a palladium catalyst. The method can be used to produce a variety of amides and N-substituted phthalimides efficiently.
