(1-Benzylazetidine-3,3-diyl)dimethanol

Base Information

• Chemical Name: (1-Benzylazetidine-3,3-diyl)dimethanol
• CAS No.: 26096-30-0
• Molecular Formula: C19H19N5O5S
• Molecular Weight: 207.272
• DSSTox Substance ID: DTXSID80948976
• Wikidata: Q82926802
• Mol file: 26096-30-0.mol

Synonyms:(1-benzylazetidine-3,3-diyl)dimethanol;26096-30-0;[1-BENZYL-3-(HYDROXYMETHYL)AZETIDIN-3-YL]METHANOL;3,3-Azetidinedimethanol, 1-(phenylmethyl)-;N-benzyl-3,3-bis(hydroxymethyl)azetidine;SCHEMBL3579844;DTXSID80948976;1-Benzylazetidine-3,3-dimethanol;AOFFCJVJVZRCBL-UHFFFAOYSA-N;AKOS026716865;3,3-bis(hydroxymethyl)-1-benzylazetidine;DA-43002;EN300-332202;F2147-4108

Chemical Property of (1-Benzylazetidine-3,3-diyl)dimethanol

Chemical Property:

• PSA: 43.70000
• LogP: 0.41110
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

(1-Benzylazetidine-3,3-diyl)dimethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (1-Benzylazetidine-3,3-diyl)dimethanol

There total 9 articles about (1-Benzylazetidine-3,3-diyl)dimethanol 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: 68.0%

3,3‐diethyl 1‐benzylazetidine‐3,3‐dicarboxylate (642411-11-8) → N-benzyl-3,3-bis-(hydroxymethyl)-azetidine (26096-30-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 1h;

Reference yield:

dimethyl 1-benzoyl azetidine-3,3-dicarboxylate → N-benzyl-3,3-bis-(hydroxymethyl)-azetidine (26096-30-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 85 ℃; for 0.25h; Inert atmosphere;

Reference yield:

5,5-bis-bromomethyl-2,2-dimethyl-[1,3]dioxane (43153-20-4) + benzylamine (100-46-9) → N-benzyl-3,3-bis-(hydroxymethyl)-azetidine (26096-30-0) + 3,3-bis(hydroxymethyl)-1-benzylazetidine acetone acetal

Guidance literature:

With sodium carbonate; In water; dimethyl sulfoxide;

upstream raw materials:

N-benzyl-3-hydroxymethyl-azetidine-3-carboxylic acid

1-benzyl-3-chloromethylazetidine-3-carboxylic acid ethyl ester

5,5-bis-bromomethyl-2,2-dimethyl-[1,3]dioxane

benzylamine

Downstream raw materials:

2-benzyl-6-(p-toluenesulfonyl)-2,6-diazaspiro[3.3]heptane

tert-butyl 6-(p-toluenesulfonyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate

2,6-diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxylate

1-[(7-benzyloxymethyl-4-tert-butoxy-9-deazapurin-9-yl)methyl]azetidine-3,3-dimethanol