Cas no 96567-93-0 (1-Benzyl-3-methylpyrrolidin-3-ol)

1-Benzyl-3-methylpyrrolidin-3-ol structure
96567-93-0 structure
Product Name:1-Benzyl-3-methylpyrrolidin-3-ol
CAS No:96567-93-0
MF:C12H17NO
MW:191.269483327866
MDL:MFCD11100985
CID:797012
PubChem ID:18629648
Update Time:2024-10-25

1-Benzyl-3-methylpyrrolidin-3-ol Chemical and Physical Properties

Names and Identifiers

    • 1-Benzyl-3-methylpyrrolidin-3-ol
    • 1-Benyl-3-methylpyrrolidin-3-ol
    • 3-Pyrrolidinol, 3-methyl-1-(phenylmethyl)-
    • 3-Methyl-1-(phenylmethyl)-3-pyrrolidinol (ACI)
    • 1-Benzyl-3-hydroxy-3-methylpyrrolidine
    • racemic 3-methyl-1-(phenylmethyl)-3-pyrrolidinol
    • CS-0055108
    • AKOS006306890
    • EN300-98665
    • SSWHTEXLCLEUBQ-UHFFFAOYSA-N
    • DB-013790
    • (+/-)1-benzyl-3-methylpyrrolidin-3-ol
    • 1-benzyl-3-methyl-pyrrolidin-3-ol
    • AB92133
    • SY097841
    • Benzyl-3-methyl-pyrrolidin-3-ol
    • DTXSID70595291
    • 1-Benzyl-3-Methylpyrrolidine-3-ol
    • MFCD11100985
    • WDA56793
    • SCHEMBL951796
    • 96567-93-0
    • MDL: MFCD11100985
    • Inchi: 1S/C12H17NO/c1-12(14)7-8-13(10-12)9-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
    • InChI Key: SSWHTEXLCLEUBQ-UHFFFAOYSA-N
    • SMILES: OC1(CCN(CC2C=CC=CC=2)C1)C

Computed Properties

  • Exact Mass: 191.13100
  • Monoisotopic Mass: 191.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 189
  • 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: 1.5
  • Topological Polar Surface Area: 23.5?2

Experimental Properties

  • PSA: 23.47000
  • LogP: 1.58120

1-Benzyl-3-methylpyrrolidin-3-ol Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-Benzyl-3-methylpyrrolidin-3-ol Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Tetrahydrofuran ;  rt → -70 °C; 2 min, -70 °C; -70 °C → rt; overnight, rt
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
Piperidinyl pyrrolidinyl methanone compounds as renin inhibitors and their preparation, pharmaceutical compositions and use in the treatment of diseases associated with aspartic protease activity
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  -20 °C; -20 °C → rt
1.2 Reagents: Water
Reference
Triazolopyridine compounds as PIM kinase inhibitors and their preparation
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  0 °C
Reference
Pharmacophore modal-based design and synthesis of new structure small molecule CCR2 inhibitors
Qin, Lihuai; Li, Xiaoguang; Wang, Zhilong; Yao, Wenbo; Wang, Hui; et al, Huaxue Xuebao, 2015, 73(7), 679-684

Production Method 4

Reaction Conditions
Reference
Preparation of substituted pyrazole derivatives for use as CCR-2 and CCR-5 receptor antagonists
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Tetrahydrofuran ;  3 h, -20 °C; -20 °C → 0 °C
Reference
Preparation of 1-(hetero)aryl-3-amino-pyrrolidine derivatives as mGluR3 receptor antagonists
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
Reference
On the Ritter reaction of cyclic hydroxyamines: synthesis of conformationally-restricted reduced amide dipeptide isosteres
Taylor, G. Mark; Baker, Stewart J.; Gedney, Andrea; Pearson, David J.; Sibley, Graham E. M., Tetrahedron Letters, 1996, 37(8), 1297-300

Production Method 7

Reaction Conditions
Reference
1,8-Naphthyridine derivatives
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Production Method 8

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Tetrahydrofuran ;  rt → -70 °C; 2 min, -70 °C; overnight, rt
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
Acylpiperidine compounds as renin inhibitors and their preparation, pharmaceutical compositions and use in the treatment of diseases associated with aspartic protease activity
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Production Method 9

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  3 h, -20 °C
Reference
1,4-Dihydropyridine-3,5-dicarboxylate derivatives as calcium channel blockers and their preparation, pharmaceutical compositions and use in the treatment of diseases
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Production Method 10

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  0 °C; 1 h, 0 °C
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK)
Huard, Kim ; Ahn, Kay; Amor, Paul; Beebe, David A.; Borzilleri, Kris A.; et al, Journal of Medicinal Chemistry, 2017, 60(18), 7835-7849

Production Method 11

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Toluene ,  Tetrahydrofuran ;  1.5 h, 0 °C
1.2 Reagents: Water
Reference
[(Pyrimidinylhydrazino)-3-oxopropyl]hydroxyformamide derivatives as bacterial peptide deformylase inhibitors and preparation, pharmaceutical compositions and use in the treatment of bacterial infections
, World Intellectual Property Organization, , ,

Production Method 12

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Tetrahydrofuran ;  0 °C; 40 min, 0 °C
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
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Production Method 13

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Tetrahydrofuran ;  rt → -70 °C; 5 min, -70 °C; -70 °C → rt; overnight, rt
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
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Production Method 14

Reaction Conditions
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1.2 Reagents: Water Solvents: Diethyl ether
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1-Benzyl-3-methylpyrrolidin-3-ol Raw materials

1-Benzyl-3-methylpyrrolidin-3-ol Preparation Products

1-Benzyl-3-methylpyrrolidin-3-ol Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:96567-93-0)1-Benzyl-3-methylpyrrolidin-3-ol
Order Number:A845612
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:06
Price ($):669.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:96567-93-0)1-Benzyl-3-methylpyrrolidin-3-ol
A845612
Purity:99%
Quantity:100g
Price ($):669.0
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