Cas no 749261-38-9 ((S)-(+)-3-Methyl-2-butyl isocyanate)
(S)-(+)-3-Methyl-2-butyl isocyanate is a chiral isocyanate compound characterized by its stereospecific (S)-(+)-configuration. This reagent is widely utilized in organic synthesis, particularly in the preparation of chiral ureas, carbamates, and other derivatives through nucleophilic addition reactions. Its enantiomeric purity makes it valuable for asymmetric synthesis and pharmaceutical applications, where stereoselectivity is critical. The compound exhibits high reactivity with amines, alcohols, and other nucleophiles, enabling efficient incorporation of the isocyanate functional group into target molecules. Its stability under controlled conditions ensures reliable performance in synthetic workflows. (S)-(+)-3-Methyl-2-butyl isocyanate is commonly employed in research and industrial settings for the development of optically active intermediates.
749261-38-9 structure
Product Name:(S)-(+)-3-Methyl-2-butyl isocyanate
CAS No:749261-38-9
MF:C6H11NO
MW:113.157641649246
CID:93016
PubChem ID:7018287
Update Time:2025-10-11
(S)-(+)-3-Methyl-2-butyl isocyanate Chemical and Physical Properties
Names and Identifiers
-
- (S)-(+)-3-Methyl-2-butyl isocyanate
- (S)-3-METHYL-2-BUTYL ISOCYANATE
- Butane,2-isocyanato-3-methyl-,(2S)
- DTXSID40426982
- (2S)-2-isocyanato-3-methyl-butane
- (2S)-2-isocyanato-3-methylbutane
- UCSWKSXDJYECKQ-LURJTMIESA-N
- AS-81171
- AKOS017343073
- GEO-02779
- SCHEMBL1787704
- 749261-38-9
- MFCD05664134
-
- MDL： MFCD05664134
- Inchi： 1S/C6H11NO/c1-5(2)6(3)7-4-8/h5-6H,1-3H3/t6-/m0/s1
- InChI Key： UCSWKSXDJYECKQ-LURJTMIESA-N
- SMILES： O=C=N[C@@H](C)C(C)C
Computed Properties
- Exact Mass: 113.08400
- Monoisotopic Mass: 113.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 103
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.7
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- Color/Form: Irritating colorless liquid
- Density: 0.88
- Boiling Point: 124℃
- Flash Point: 28°(82°F)
- Refractive Index: 1.4110
- PSA: 29.43000
- LogP: 1.36670
- Sensitiveness: Moisture Sensitive
- Solubility: Hydrolyzable
(S)-(+)-3-Methyl-2-butyl isocyanate Security Information
- Hazardous Material transportation number：UN 2206
- Hazard Category Code： 20/22-36/37/38-42
- Safety Instruction： S23; S26; S36/37/39; S45
- Packing Group：III
- Hazard Level：6.1
- HazardClass：6.1
- PackingGroup：III
- Risk Phrases：R20/22; R36/37/38; R42
- Packing Group：III
- Safety Term：6.1
(S)-(+)-3-Methyl-2-butyl isocyanate Customs Data
- HS CODE：2929109000
- Customs Data：
China Customs Code:
2929109000Overview:
2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
(S)-(+)-3-Methyl-2-butyl isocyanate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B300528-1g |
(S)-(+)-3-Methyl-2-butyl isocyanate |
749261-38-9 | 95% | 1g |
￥844.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B300528-250mg |
(S)-(+)-3-Methyl-2-butyl isocyanate |
749261-38-9 | 95% | 250mg |
￥308.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B300528-50mg |
(S)-(+)-3-Methyl-2-butyl isocyanate |
749261-38-9 | 95% | 50mg |
￥102.90 | 2023-09-04 | |
| Key Organics Ltd | AS-81171-1G |
(2S)-2-isocyanato-3-methylbutane |
749261-38-9 | >97% | 1g |
￡479.00 | 2023-09-08 |
(S)-(+)-3-Methyl-2-butyl isocyanate Related Literature
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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