Cas no 95881-83-7 (3-Chloro-5-methoxypyridine)

3-Chloro-5-methoxypyridine structure
3-Chloro-5-methoxypyridine structure
Product Name:3-Chloro-5-methoxypyridine
CAS No:95881-83-7
MF:C6H6ClNO
MW:143.570940494537
MDL:MFCD09910244
CID:61812
PubChem ID:329771503
Update Time:2024-10-25

3-Chloro-5-methoxypyridine Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-5-methoxypyridine
    • 2,5-DIMETHYLCINNAMIC ACID
    • 5-chloro-3-methoxypyridine
    • 5-chloro-3-pyridinyl methyl ether
    • 3-Methoxy-5-chloropyridine
    • 3-Chloro-5-methoxypyridine (ACI)
    • AB55073
    • SCHEMBL1507066
    • DTXSID00454908
    • SY239823
    • 95881-83-7
    • 3-Chloro-5-methoxypyridine, AldrichCPR
    • AKOS006314919
    • CS-0150246
    • AS-38124
    • MFCD09910244
    • TXBHLLHHHQAFNN-UHFFFAOYSA-N
    • DB-082180
    • MDL: MFCD09910244
    • Inchi: 1S/C6H6ClNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
    • InChI Key: TXBHLLHHHQAFNN-UHFFFAOYSA-N
    • SMILES: ClC1C=C(OC)C=NC=1

Computed Properties

  • Exact Mass: 143.01400
  • Monoisotopic Mass: 143.014
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 89.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 22.1A^2
  • XLogP3: 1.5

Experimental Properties

  • Density: 1.21
  • Boiling Point: 198.4°Cat760mmHg
  • Flash Point: 73.8°C
  • Refractive Index: 1.518
  • PSA: 22.12000
  • LogP: 1.74360

3-Chloro-5-methoxypyridine Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn
  • HazardClass:IRRITANT

3-Chloro-5-methoxypyridine Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Chloro-5-methoxypyridine Pricemore >>

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3-Chloro-5-methoxypyridine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide ;  2 h, rt → 66 °C
1.2 66 °C → 78 °C; 30 h, 78 °C
Reference
Synthesis of 3-methoxy-5-chloro-2,6-dinitropyridine
Chen, Jun; Li, Quan-liang; Wang, Jian-long, Hanneng Cailiao, 2007, 15(5), 500-501

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium Solvents: Methanol ;  rt
1.2 Solvents: Dimethyl sulfoxide ;  2 h, 70 °C
1.3 Reagents: Sodium hydroxide Solvents: Water
Reference
New Ligands with Affinity for the α4β2 Subtype of Nicotinic Acetylcholine Receptors. Synthesis, Receptor Binding, and 3D-QSAR Modeling
Audouze, Karine; Oestergaard Nielsen, Elsebet; Olsen, Gunnar M.; Ahring, Philip; Jorgensen, Tino Dyhring; et al, Journal of Medicinal Chemistry, 2006, 49(11), 3159-3171

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol ;  rt → reflux; 30 h, reflux
Reference
Synthesis of 3-chloro-5-methoxy-2,6-dinitropyridine and determination of its crystal and molecular structures
Chen, Jun; Li, Quan-Liang; Wang, Jian-Long; Geng, Tian-Qi, Youji Huaxue, 2008, 28(1), 123-126

Production Method 4

Reaction Conditions
1.1 Solvents: Dimethyl sulfoxide ;  rt; 1 h, 80 °C
Reference
Creating an antibacterial with in vivo efficacy: synthesis and characterization of potent inhibitors of the bacterial cell division protein FtsZ with improved pharmaceutical properties
Haydon, David J.; Bennett, James M.; Brown, David; Collins, Ian; Galbraith, Greta; et al, Journal of Medicinal Chemistry, 2010, 53(10), 3927-3936

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol ;  30 h, rt → reflux
Reference
Synthesis of 3,5-dimethoxy-2,6-dinitropyridine
Chen, Jun; Li, Quan-liang; Wang, Jian-long; Geng, Tian-qi, Tianjin Huagong, 2007, 21(2), 30-31

Production Method 6

Reaction Conditions
Reference
Synthesis of hydroxy-substituted aza-analogs of antitumor anthrapyrazoles
Krapcho, A. Paul; Gallagher, Cynthia E.; Hammach, Abdelhakim; Hacker, Miles P.; Menta, Ernesto; et al, Journal of Heterocyclic Chemistry, 1998, 35(4), 895-906

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Dimethylformamide
Reference
The reactions of some halogenated pyridines with methoxide and methanethiolate ions in dimethylformamide
Testaferri, Lorenzo; Tiecco, Marcello; Tingoli, Marco; Bartoli, Donatella; Massoli, Alberto, Tetrahedron, 1985, 41(7), 1373-84

3-Chloro-5-methoxypyridine Raw materials

3-Chloro-5-methoxypyridine Preparation Products

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