2-Bromomethyl-3-nitro benzoic acid methyl ester

• CAS: 98475-07-1
• Catalog Number: ACM98475071
• Category: Bromine Series
• Molecular Weight: 274.07
• Molecular Formula: C9H8BrNO4
• Synonyms: 98475-07-1, Methyl 2-(bromomethyl)-3-nitrobenzoate, Methyl 2-bromomethyl-3-nitrobenzoate, 2-BROMOMETHYL-3-NITROBENZOIC ACID METHYL ESTER, Methyl2-bromomethyl-3-nitrobenzoate, SBB064270, AG-H-99647, 2-Bromomethyl-3-nitrobenzoicacid methyl ester, BENZOIC ACID, 2-(BROMOMETHYL)-3-NITRO-, METHYL ESTER, 2-Bromomethyl-3-nitro benzoic acid methyl ester, ZINC01402301, zlchem 474, AC1LSGVO, PubChem19169, SureCN332011, KSC496G1P, CTK3J6317, ZLC0339, MolPort-002-344-323, ACT00740
• IUPAC Name: methyl 2-(bromomethyl)-3-nitrobenzoate
• Canonical SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CBr
• InChI Key: FCGIVHSBEKGQMZ-UHFFFAOYSA-N
• Boiling Point: 370.9ºC at 760 mmHg
• Melting Point: 72-74ºC
• Flash Point: 178.1ºC
• Density: 1.624g/cm³
• Appearance: pale yellow solid
• EC Number: 619-354-8
• Exact Mass: 272.96400
• H-Bond Acceptor: 4
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 59382-59-1

• 98475-07-1

Reference: [1] Patent: US2010/10060, 2010, A1, . Location in patent: Page/Page column 19

Upstream Synthesis Route 2

• 62621-09-4

• 98475-07-1

Reference: [1] Patent: US2002/95044, 2002, A1,

Upstream Synthesis Route 3

• 59382-59-1

• 98475-07-1

Reference: [1]Patent: US2010/10060,2010,A1 .Location in patent: Page/Page column 19

Downstream Synthesis Route 1

• 98475-07-1

• 90924-46-2

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 20, p. 4557 - 4561

Downstream Synthesis Route 2

• 24666-56-6
• 98475-07-1

• 827026-45-9

Reference: [1]Patent: US2018/334443,2018,A1 .Location in patent: Paragraph 0060; 0061; 0062

Downstream Synthesis Route 3

• 74-89-5
• 98475-07-1

• 682757-52-4

Reference: [1]Song, Ha-Jeong; Yoon, Eunyoung; Heo, Jung-Nyoung
[Tetrahedron Letters, 2020, vol. 61, # 9]
[2]Current Patent Assignee: CHINA PHARMACEUTICAL UNIVERSITY - CN111377923, 2020, A
Location in patent: Paragraph 0174-0176
[3]Current Patent Assignee: CHINA PHARMACEUTICAL UNIVERSITY - CN113135922, 2021, A
Location in patent: Paragraph 0147-0150
[4]Current Patent Assignee: DUPONT DE NEMOURS INC - WO2004/35545, 2004, A2
Location in patent: Page 42

* For details of the synthesis route, please refer to the original source to ensure accuracy.