1-Propyl-1-cyclopentanol

Base Information

• Chemical Name: 1-Propyl-1-cyclopentanol
• CAS No.: 1604-02-0
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2906199090
• European Community (EC) Number: 681-469-4
• NSC Number: 95423
• UNII: D02T3K384A
• DSSTox Substance ID: DTXSID60166873
• Nikkaji Number: J40.584A
• Wikidata: Q83036146
• Mol file: 1604-02-0.mol

Synonyms:1-Propylcyclopentanol;1604-02-0;1-N-Propylcyclopentanol;1-Propyl-1-cyclopentanol;1-propylcyclopentan-1-ol;Cyclopentanol, 1-propyl-;NSC 95423;BRN 1919731;D02T3K384A;NSC-95423;3-06-00-00101 (Beilstein Handbook Reference);propylcyclopentanol;NSC95423;1-Propyl-cyclopentanol;1-propyl-cyclopentan-1-ol;SCHEMBL459606;UNII-D02T3K384A;DTXSID60166873;BAA60402;MFCD00019282;1-HYDROXY-1-PROPYLCYCLOPENTANE;AKOS009157526;AS-57606;LS-58061;CS-0333957;FT-0633697;A883212

Chemical Property of 1-Propyl-1-cyclopentanol

Chemical Property:

• Vapor Pressure: 0.438mmHg at 25°C
• Melting Point: -37.5°C
• Refractive Index: 1.4502
• Boiling Point: 171.7°Cat760mmHg
• PKA: 15.38±0.20(Predicted)
• Flash Point: 65.3°C
• PSA: 20.23000
• Density: 0.927g/cm³
• LogP: 2.09160
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 82.6

Purity/Quality:

99% ^*data from raw suppliers

1-N-Propylcyclopentanol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1(CCCC1)O
• Uses: 1-N-Propylcyclopentanol can be used to prepare radiopharmaceutical product using cassette.

Technology Process of 1-Propyl-1-cyclopentanol

There total 11 articles about 1-Propyl-1-cyclopentanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

8-iodooctan-4-one (102968-70-7) → octan-4-one (589-63-9) + 1-propylcyclopentanol (1604-02-0) + 4-tert-Butyl-octan-4-ol (102968-75-2)

Guidance literature:

With tert.-butyl lithium; In diethyl ether; at -78 ℃; Title compound not separated from byproducts; Var_.: 0 deg C;

DOI:10.1016/S0040-4039(01)80833-9

Reference yield:

tert.-butyl lithium (594-19-4) + 8-iodooctan-4-one (102968-70-7) → octan-4-one (589-63-9) + 1-propylcyclopentanol (1604-02-0) + 4-tert-Butyl-octan-4-ol (102968-75-2)

Guidance literature:

In diethyl ether; at -78 ℃; Title compound not separated from byproducts; Var_.: 0 deg C;

DOI:10.1016/S0040-4039(01)80833-9

Reference yield:

1-benzylcyclopentanol (2015-57-8) → 1-propylcyclopentanol (1604-02-0)

Guidance literature:

Multi-step reaction with 2 steps

1: (diacetoxy)iodobenzene; iodine / CH₂Cl₂ / 0.08 h / 20 °C / UV-irradiation

2: tetrahydrofuran

With [bis(acetoxy)iodo]benzene; iodine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo049524y

upstream raw materials:

n-propylmagnesium bromide

cyclopentanone

propylmagnesium iodide

propyllithium

Downstream raw materials:

1-propylcyclopentene

propylidene-cyclopentane

n-propylcyclopentane

Refernces

• 1、 Cooke, Manning P.,Houpis, Ioannis N.. "METAL-HALOGEN EXCHANGE-INITIATED CYCLIZATION OF IODO CARBONYL COMPOUNDS". . p. 4987 - 4990. Retrieved 2007/10/02.