749261-38-9

Basic information

• Product Name: (S)-3-METHYL-2-BUTYL ISOCYANATE
• Synonyms: (S)-3-METHYL-2-BUTYL ISOCYANATE
• CAS NO: 749261-38-9
• Molecular Formula: C6H11NO
• Molecular Weight: 113.16
• Mol File: 749261-38-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 124℃
• Flash Point: 28°(82°F)
• Appearance: /
• Density: 0.88
• Vapor Pressure: 13mmHg at 25°C
• Refractive Index: 1.4110
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: (S)-3-METHYL-2-BUTYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-3-METHYL-2-BUTYL ISOCYANATE(749261-38-9)
• EPA Substance Registry System: (S)-3-METHYL-2-BUTYL ISOCYANATE(749261-38-9)

Safety Data

• Statements: 20/22-36/37/38-42
• Safety Statements: 23-26-36/37/39-45
• RIDADR: 2206
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 749261-38-9(Hazardous Substances Data)

Usage

General Description

(S)-3-Methyl-2-butyl isocyanate is a chemical compound with the molecular formula C7H13NO. It is a type of isocyanate, which is a highly reactive chemical group commonly used in the production of polyurethane and other polymers. Isocyanates are known to be highly toxic and can cause severe respiratory and skin irritations, as well as allergic reactions. Exposure to (S)-3-Methyl-2-butyl isocyanate should be minimized and proper safety measures should be taken when handling this compound. It is important to use appropriate protective equipment and work in a well-ventilated area to prevent harmful effects from exposure.

InChI:InChI=1/C6H11NO/c1-5(2)6(3)7-4-8/h5-6H,1-3H3/t6-/m0/s1

Upstream product

• 598-74-3 2-amino-3-methylbutane 
• 503-38-8 trichloromethyl chloroformate 
• 75-44-5 phosgene 

Downstream Products

• 37801-46-0 (1,2-Dimethyl-propyl)-carbamic acid 3-methylsulfanylcarbonylamino-phenyl ester 

Relevant articles and documents

Influence of bulky substituents on histamine H3 receptor agonist/antagonist properties

Novel derivatives of 3-(1H-imidazol-4-yl)propanol were designed on the basis of lead compounds belonging to the carbamate or ether series possessing (partial) agonist properties on screening assays of the histamine H3 receptor. One pair of enantiomers in the series of α-methyl-branched chiral carbamates was stereoselectively prepared in high optical yields. Enantiomeric purity was checked by Mosher amide derivatives of precursors and capillary electrophoresis of the final compounds with trimethyl-β-cyclodextrin as chiral selector, and was determined to be ≥95%. The novel compounds were investigated in various histamine H3 receptor assays in vitro and in vivo. Some compounds displayed partial agonist activity on synaptosomes of rat brain cortex, whereas others exhibited antagonist properties only. Selected compounds were investigated in [125I]iodoproxyfan binding studies on the human histamine H3 receptor and showed high affinity in the nanomolar concentration range. Under in vivo conditions after oral administration to mice, some of the compounds exhibited partial or full agonist activity in the brain at low dosages. The (S)-enantiomer of one pair of chiral carbamates (9) proved to be the eutomer; thus, the (S)-enantiomer was selected for further pharmacological studies. In a peripheral in vivo test model in rats, measuring the level of inhibition of capsaicin-induced plasma extravasation, (S)-9 again proved its high oral agonist potency with full intrinsic activity (ED50 values of 0.07-0.1 mg/kg depending on tissue).