2-(Chloromethyl)-1,4,6-trioxaspiro[4.4]nonane

Base Information

• Chemical Name: 2-(Chloromethyl)-1,4,6-trioxaspiro[4.4]nonane
• CAS No.: 3660-10-4
• Molecular Formula: C7H11ClO3
• Molecular Weight: 178.616
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60512750
• Mol file: 3660-10-4.mol

Synonyms:2-(chloromethyl)-1,4,6-trioxaspiro[4.4]nonane;3660-10-4;3-(chloromethyl)-1,4,6-trioxaspiro[4.4]nonane;SCHEMBL11195907;DTXSID60512750;MFCD08143671;AKOS000274377;AKOS016040426;VS-10115;CS-0323346;F3308-1189

Chemical Property of 2-(Chloromethyl)-1,4,6-trioxaspiro[4.4]nonane

Chemical Property:

• PSA: 27.69000
• LogP: 1.10480
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.0396719
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

95% ^*data from raw suppliers

2-(Chloromethyl)-1,4,6-trioxaspiro[4.4]nonane 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(OC1)OCC(O2)CCl

Technology Process of 2-(Chloromethyl)-1,4,6-trioxaspiro[4.4]nonane

There total 2 articles about 2-(Chloromethyl)-1,4,6-trioxaspiro[4.4]nonane 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: 57.0%

4-butanolide (96-48-0) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 2-Chlormethyl-1,4,6-trioxa-spiro-<4,4>-nonan (3660-10-4)

Guidance literature:

F-4SK (H form); at 100 ℃; for 10h;

Reference yield:

→ 2-Chlormethyl-1,4,6-trioxa-spiro-<4,4>-nonan (3660-10-4)

Guidance literature:

aus γ-Butyrolacton, Epichlorhydrin;

DOI:10.1055/s-1974-23268

Reference yield: 70.0%

2-Chlormethyl-1,4,6-trioxa-spiro-<4,4>-nonan (3660-10-4) + sodium benzylmercaptide (3492-64-6) → 2-Benzylsulfanylmethyl-1,4,6-trioxa-spiro[4.4]nonane (121033-56-5)

Guidance literature:

In N,N-dimethyl-formamide; at 110 ℃; for 5h;

upstream raw materials:

4-butanolide

epichlorohydrin

Downstream raw materials:

4-butanolide

2-Benzylsulfanylmethyl-1,4,6-trioxa-spiro[4.4]nonane

2-Benzylaminomethyl-1,4,6-trioxa-spiro-<4,4>-nonan

1-[Benzyl-(1,4,6-trioxa-spiro[4.4]non-2-ylmethyl)-amino]-3-{4-[1-(4-{3-[benzyl-(1,4,6-trioxa-spiro[4.4]non-2-ylmethyl)-amino]-2-hydroxy-propoxy}-phenyl)-1-methyl-ethyl]-phenoxy}-propan-2-ol