methyl 4-nitrobutyrate
butanoic acid, 4-nitro-, methyl ester (9CI)
Identification
| Name | methyl 4-nitrobutyrate |
| CAS Number | 13013-02-0 |
| EINECS | 235-866-0 |
| FDA UNII | Search |
| Molecular Formula | C5 H9 N O4 |
| Molecular Weight | 147.13053000 |
| MDL Number | MFCD00007408 |
| Nikkaji Number | J129.135A |
| Beilstein | 1766154 |
| XlogP3 | 0.60 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.14900 @ 25.00 °C. |
| Refractive Index | 1.43800 @ 20.00 °C. |
| Boiling Point | 238.50 °C. @ 760.00 mm Hg (est) |
| Flash Point | 185.00 °F. TCC ( 85.00 °C. ) |
| logP (o/w) | 0.480 (est) |
| Soluble in | water, 1.224e+004 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | unreported-rat LD50 1000 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | pharmaceuticals / chemical synthisis |
| Recommendation for methyl 4-nitrobutyrate usage levels up to | not for fragrance use. |
| Recommendation for methyl 4-nitrobutyrate flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
butanoic acid, 4-nitro-, methyl ester (9CI)
butyric acid, 4-nitro-, methyl ester
methyl 4-nitrobutanoate
4-
nitrobutyric acid methyl ester
PubMed:
Enantioselective Henry addition of methyl 4-nitrobutyrate to aldehydes. Chiral building blocks for 2-pyrrolidinones and other derivatives.
PubMed:
Toward the total synthesis of Sinefungin.