tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate | CAS No. 873437-13-9

tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate

Basic Information

CAS Number

873437-13-9

Molecular Formula

C11H23NO3

Molecular Weight

217.31 g/mol

AD

Basic Physical Properties

CC(C)N(CCCO)C(=O)OC(C)(C)C

InChI

InChI=1S/C11H23NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3

InChIKey

LLCYWHXMBXMVAS-UHFFFAOYSA-N

LogP

2.0143

Topological Polar Surface Area

49.769999999999996 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

197

Synonyms & References

English

  • Carbamic acid, (3-hydroxypropyl)(1-methylethyl)-, 1,1-dimethylethylester
  • (3-Hydroxy-propyl)-isopropyl-carbamic acid tert-butyl ester
  • 1,1-Dimethylethyl N-(3-hydroxypropyl)-N-(1-methylethyl)carbamate (ACI)
  • Carbamic acid, (3-hydroxypropyl)(1-methylethyl)-, 1,1-dimethylethyl ester (9CI)
  • 3-[(tert-Butoxycarbonyl)isopropylamino]-1-propanol
  • 873437-13-9
  • DB-257667
  • tert-Butyl(3-hydroxypropyl)(isopropyl)carbamate
  • SCHEMBL1859771
  • SB39252
  • (3-Hydroxy-propyl)-isopropyl-carbamic acid t-butyl ester
  • CS-0252908
  • F83238
  • tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate
  • EN300-61982
  • AKOS010269541
  • tert-butyl N-(3-hydroxypropyl)-N-(propan-2-yl)carbamate
  • tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate
  • MFCD12781066
  • YJB43713

MDL Number

MFCD12781066

FAQ

What are the physical and chemical properties of tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate (CAS: 873437-13-9)?

t-Butyl (3-hydroxypropyl)(isopropyl)carbamate (CAS: 873437-13-9) is a white crystalline solid with a molecular weight of approximately 242.29 g/mol. It is slightly soluble in water but miscible with organic solvents like ethanol and acetone. The compound is known for its reactivity, particularly in nucleophilic substitution reactions. It can form stable complexes with various reagents and is often used in organic synthesis due to its unique reactivity.

How is tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate (CAS: 873437-13-9) typically synthesized?

t-Butyl (3-hydroxypropyl)(isopropyl)carbamate (CAS: 873437-13-9) can be synthesized via a multi-step reaction involving the formation of an intermediate amide, followed by alkylation of the hydroxy group. The synthesis typically uses tert-butanol, 3-hydroxypropyl isopropylamine, and a suitable base like triethylamine as a catalyst. The process yields a high purity product with good selectivity and high yield, making it suitable for industrial applications.

What industries use tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate (CAS: 873437-13-9)?

t-Butyl (3-hydroxypropyl)(isopropyl)carbamate (CAS: 873437-13-9) is primarily used in the pharmaceutical and agrochemical industries. It serves as a key intermediate in the synthesis of various drugs and pesticides. In the pharmaceutical industry, this compound is used for the development of novel drugs, particularly in the fields of anti-inflammatory and anti-cancer treatments. Its unique chemical properties also make it applicable in the synthesis of polymers and as a reagent in analytical chemistry.

What precautions should be taken when handling tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate (CAS: 873437-13-9)?

When handling tert-Butyl (3-hydroxypropyl)(isopropyl)carbamate (CAS: 873437-13-9), it is essential to follow safety guidelines closely. Use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to prevent inhalation. Store the compound in a cool, dry place away from direct sunlight and heat sources. In the case of spills, immediately clean up using appropriate materials and refer to the Safety Data Sheet (SDS) for further instructions.

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