2-Crotonyloxymethyl-(4R,5R,6R)-4,5,6-trihydroxycyclohex-2-enone

Base Information

• Chemical Name: 2-Crotonyloxymethyl-(4R,5R,6R)-4,5,6-trihydroxycyclohex-2-enone
• CAS No.: 62532-49-4
• Molecular Formula: C11H14 O6
• Molecular Weight: 242.229
• Nikkaji Number: J702.032E,J72.729F
• Wikidata: Q105214217
• ChEMBL ID: CHEMBL361592

Synonyms:2-crotonyloxymethyl-(4R,5R,6R)-4,5,6-trihydroxycyclohex- 2-enone;2-crotonyloxymethyl-(4R,5R,6R)-4,5,6-trihydroxycyclohex- 2-enone, (3R-(3alpha,4alpha,5alpha))-isomer;COTC

Chemical Property of 2-Crotonyloxymethyl-(4R,5R,6R)-4,5,6-trihydroxycyclohex-2-enone

Chemical Property:

• Vapor Pressure: 7.96E-09mmHg at 25°C
• Boiling Point: 420.3°C at 760 mmHg
• Flash Point: 163.3°C
• PSA: 104.06000
• Density: 1.43g/cm³
• LogP: -1.30250
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 242.07903816
• Heavy Atom Count: 17
• Complexity: 370

Purity/Quality:

99% ^*data from raw suppliers

2-CROTONYLOXYMETHYL-(4R,5R,6R)-4,5,6-TRIHYDROXYCYCLOHEX-2-ENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(=O)OCC1=CC(C(C(C1=O)O)O)O
• Isomeric SMILES: C/C=C/C(=O)OCC1=C[C@H]([C@H]([C@H](C1=O)O)O)O

Technology Process of 2-Crotonyloxymethyl-(4R,5R,6R)-4,5,6-trihydroxycyclohex-2-enone

There total 37 articles about 2-Crotonyloxymethyl-(4R,5R,6R)-4,5,6-trihydroxycyclohex-2-enone 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: 100.0%

(4R,5R,6R)-6-O-tert-Butyldimethylsilyl-2-crotonyloxymethyl-4,5-O-cyclohexylidene-4,5,6-trihydroxycyclohex-2-enone (131221-92-6) → 2-crotonyloxymethyl-(4R,5R,6R)-4,5,6-trihydroxycyclohex-2-enone (62532-49-4,57449-30-6,94842-94-1)

Guidance literature:

With trifluoroacetic acid; In water; Ambient temperature;

DOI:10.1039/c39900000312

Reference yield: 100.0%

6-(tert-butyl)dimethylsiloxy-2-crotonyloxymethyl-4,5-isopropylidenedioxy-cyclohex-2-enone (101247-85-2) → 2-crotonyloxymethyl-(4R,5R,6R)-4,5,6-trihydroxycyclohex-2-enone (62532-49-4,57449-30-6,94842-94-1)

Guidance literature:

With trifluoroacetic acid; for 2h; Ambient temperature;

DOI:10.1002/hlca.19850680425

Reference yield: 73.0%

C17H22O6 (272123-73-6) → 2-crotonyloxymethyl-(4R,5R,6R)-4,5,6-trihydroxycyclohex-2-enone (62532-49-4,57449-30-6,94842-94-1)

Guidance literature:

With water; trifluoroacetic acid;

DOI:10.1016/S0040-4039(00)00103-9

upstream raw materials:

(E)-but-2-enoic acid

(-)-gabosine C

(4R,5R,6R)-6-O-tert-Butyldimethylsilyl-2-crotonyloxymethyl-4,5-O-cyclohexylidene-4,5,6-trihydroxycyclohex-2-enone

(E)-But-2-enoic acid (1S,2S,6R,7S,8S,9S)-7-methoxy-4,4-dimethyl-9-(3-trifluoromethyl-pyridine-2-sulfinyl)-3,5,10-trioxa-tricyclo[5.2.1.0^2,6]dec-8-ylmethyl ester

Downstream raw materials:

(4R,5R,6R)-4,5,6-Trihydroxy-2-(2-hydroxy-ethylsulfanylmethyl)-cyclohex-2-enone

(4R,5R,6R)-2-(4-Bromo-phenylsulfanylmethyl)-4,5,6-trihydroxy-cyclohex-2-enone

(E)-But-2-enoic acid 2,3,5-triacetoxy-benzyl ester

(-)-gabosine C

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