Cas no 5762-40-3 (methyl 2,4-dimethyl-4-nitropentanoate)

Methyl 2,4-dimethyl-4-nitropentanoate is a nitro-substituted ester compound characterized by its branched alkyl structure and functional versatility. The presence of both ester and nitro groups enhances its reactivity, making it a valuable intermediate in organic synthesis, particularly for the preparation of fine chemicals and pharmaceuticals. Its sterically hindered structure may contribute to selective reactivity in nucleophilic or radical reactions. The compound's stability under standard conditions ensures ease of handling and storage. Its synthetic utility is further underscored by potential applications in the development of bioactive molecules or specialty polymers, where controlled functionalization is critical.

methyl 2,4-dimethyl-4-nitropentanoate structure

5762-40-3 structure

Product Name:methyl 2,4-dimethyl-4-nitropentanoate

CAS No:5762-40-3

MF:C₈H₁₅NO₄

MW:189.209002733231

CID:1605477

PubChem ID:247983

Update Time:2025-05-28

methyl 2,4-dimethyl-4-nitropentanoate Chemical and Physical Properties

Names and Identifiers

- Methyl 2,4-dimethyl-4-nitropentanoate
- Pentanoic acid, 2,4-dimethyl-4-nitro-, methyl ester
- 2,4-Dimethyl-4-nitrovaleric acid methyl ester
- NSC63876
- 5762-40-3
- DB-096199
- 2,4-Dimethyl-4-nitro-methyl Ester Valeric Acid
- SCHEMBL17647338
- NSC-63876
- Pentanoic acid,4-dimethyl-4-nitro-, methyl ester
- E74200
- DTXSID40289776
- METHYL 2,4-DIMETHYL-4-NITRO-PENTANOATE
- NCIOpen2_000293
- Methyl 2,4-dimethyl-4-nitropentanoate #
- WS-01916
- racemic methyl-2,4-dimethyl-4-nitro-pentanoate
- methyl 2,4-dimethyl-4-nitropentanoate
- Inchi： 1S/C8H15NO4/c1-6(7(10)13-4)5-8(2,3)9(11)12/h6H,5H2,1-4H3
- InChI Key： FIXGUDASGASFSO-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)CC(C)(C)[N+](=O)[O-])=O

Computed Properties

Exact Mass: 189.10015
Monoisotopic Mass: 189.10010796g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 13
Rotatable Bond Count: 4
Complexity: 207
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.4
Topological Polar Surface Area: 72.1?2

Experimental Properties

PSA: 69.44

methyl 2,4-dimethyl-4-nitropentanoate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TRC	M805480-100mg	Methyl 2,4-Dimethyl-4-nitropentanoate	5762-40-3		100mg	$ 219.00	2023-09-06
TRC	M805480-250mg	Methyl 2,4-Dimethyl-4-nitropentanoate	5762-40-3		250mg	$ 506.00	2023-09-06
TRC	M805480-500mg	Methyl 2,4-Dimethyl-4-nitropentanoate	5762-40-3		500mg	$ 995.00	2023-09-06
TRC	M805480-1g	Methyl 2,4-Dimethyl-4-nitropentanoate	5762-40-3		1g	$ 1410.00	2022-06-03
TRC	M805480-1000mg	Methyl 2,4-Dimethyl-4-nitropentanoate	5762-40-3		1g	$1717.00	2023-05-17
eNovation Chemicals LLC	Y1259496-5g	2,4-Dimethyl-4-nitrovaleric acid methyl ester	5762-40-3	95%	5g	$265	2023-09-04
eNovation Chemicals LLC	Y1259496-10g	2,4-Dimethyl-4-nitrovaleric acid methyl ester	5762-40-3	95%	10g	$450	2023-09-04
eNovation Chemicals LLC	Y1259496-25g	2,4-Dimethyl-4-nitrovaleric acid methyl ester	5762-40-3	95%	25g	$950	2023-09-04
Aaron	AR00EVDA-100mg	2,4-Dimethyl-4-nitrovaleric acid methyl ester	5762-40-3	95%	100mg	$26.00	2023-12-14
Aaron	AR00EVDA-250mg	2,4-Dimethyl-4-nitrovaleric acid methyl ester	5762-40-3	95%	250mg	$44.00	2023-12-14