1-Benzylazetidin-3-ol

Base Information

• Chemical Name: 1-Benzylazetidin-3-ol
• CAS No.: 54881-13-9
• Molecular Formula: C10H13NO
• Molecular Weight: 163.219
• Hs Code.: 29339900
• European Community (EC) Number: 611-206-0
• DSSTox Substance ID: DTXSID10396623
• Nikkaji Number: J583.088E
• Wikidata: Q72440734
• ChEMBL ID: CHEMBL4590264
• Mol file: 54881-13-9.mol

Synonyms:1-benzylazetidin-3-ol;54881-13-9;1-Benzyl-azetidin-3-ol;1-benzyl 3-hydroxy-azetidine;1-benzyl-3-azetidinol;MFCD00963607;3-AZETIDINOL, 1-(PHENYLMETHYL)-;1-Benzyl-3-hydroxyazetidine;1-Benzylazetidine-3-ol;1-benzyl-azetidine-3-ol;n-benzyl-3-hydroxyazetidine;SCHEMBL1565431;CHEMBL4590264;1-BENZYL AZETIDINE-3-OL;DTXSID10396623;JOXQHYFVXZZGQZ-UHFFFAOYSA-N;BCP20116;BBL103542;STL557352;AKOS011761687;CS-W002713;GS-3589;PB10180;AC-26724;SY014531;A7969;AM20040695;FT-0649220;EN300-63930;J-504316;F8881-7170

Chemical Property of 1-Benzylazetidin-3-ol

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Melting Point: 64-65 °C
• Refractive Index: 1.619
• Boiling Point: 259.17 °C at 760 mmHg
• PKA: 14.33±0.20(Predicted)
• Flash Point: 105.864 °C
• PSA: 23.47000
• Density: 1.189 g/cm³
• LogP: 0.80100
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

98%, ^*data from raw suppliers

1-Benzylazetidin-3-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN1CC2=CC=CC=C2)O

Technology Process of 1-Benzylazetidin-3-ol

There total 14 articles about 1-Benzylazetidin-3-ol 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: 93.0%

N-benzyl-3-amino-1-chloropropan-2-ol (75605-52-6,278788-93-5) → N-benzyl-3-hydroxyazetidine (54881-13-9)

Guidance literature:

With sodium hydrogencarbonate; In acetonitrile; for 7h; Heating;

DOI:10.1248/cpb.54.1408

Reference yield: 88.7%

benzylamine (100-46-9) + methyloxirane (75-56-9,16033-71-9) → N-benzyl-3-hydroxyazetidine (54881-13-9)

Guidance literature:

benzylamine; methyloxirane; In water; at 0 - 5 ℃; for 16h;

With sodium carbonate; In water; acetonitrile; for 16h; Inert atmosphere; Reflux;

With oxalic acid; In tert-butyl methyl ether; water; acetonitrile; at 20 - 25 ℃;

Reference yield: 88.0%

N-benzyl-3-(trimethylsilyloxy)azetidine (111043-42-6) → N-benzyl-3-hydroxyazetidine (54881-13-9)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water; for 0.0833333h; Ambient temperature;

upstream raw materials:

N-benzyl-3-(trimethylsilyloxy)azetidine

1,3-dichloro-2-(6-(3,4,5,6-tetrahydro-2H-pyranoxy))propane

benzylamine

N-benzyl-1-(oxiran-2-yl)methanamine

Downstream raw materials:

3-(N-benzyl-N-methyl)amino-2-chloro-1-propene

N-(1-benzylazetidin-3-yl)acetamide

C₁₃H₁₈N₂O

1-benzylazetidine-3-ol hydrochloride

Refernces

• 1、 Krishna Reddy,Udaykiran,Chintamani,Mahesh Reddy,Kameswararao, Ch.,Madhusudhan. "Development of an optimized process for the preparation of 1-benzylazetidin-3-ol: An industrially important intermediate for substituted azetidine". experimental part. p. 462 - 466. Retrieved 2012/01/17.
• 2、 -. "ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME". Page/Page column 21. . Retrieved 2009/04/25.