Chroman-6-carbonyl Chloride

Base Information

• Chemical Name: Chroman-6-carbonyl Chloride
• CAS No.: 55746-03-7
• Molecular Formula: C10H9ClO2
• Molecular Weight: 196.63
• DSSTox Substance ID: DTXSID80439950
• Wikidata: Q82256062
• Mol file: 55746-03-7.mol

Synonyms:Chroman-6-carbonyl Chloride;55746-03-7;3,4-dihydro-2H-chromene-6-carbonyl chloride;3,4-dihydro-2H-1-benzopyran-6-carbonyl chloride;DTXSID80439950;AKOS006344807;MS-22253;FT-0723448

Chemical Property of Chroman-6-carbonyl Chloride

Chemical Property:

• PSA: 26.30000
• LogP: 2.39060
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 196.0291072
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

98% ^*data from raw suppliers

chroman-6-carbonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CC(=C2)C(=O)Cl)OC1

Technology Process of Chroman-6-carbonyl Chloride

There total 3 articles about Chroman-6-carbonyl Chloride 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: 94.0%

6-(3,4-dihydro-1H-1-benzopyranyl)carboxylic acid (103203-84-5) → Chroman-6-carbonyl chloride (55746-03-7)

Guidance literature:

With thionyl chloride; for 1.5h; Heating;

Reference yield:

chromane (493-08-3) → Chroman-6-carbonyl chloride (55746-03-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 88 percent / AlCl₃ / 1,2-dichloro-ethane / 1 h / 0 °C

2: 71 percent / 25percent aq. NaOCl / 0.5 h / Heating

3: 94 percent / SOCl₂ / 1.5 h / Heating

With sodium hypochlorite; aluminium trichloride; thionyl chloride; In 1,2-dichloro-ethane;

Reference yield:

1-<6-(3,4-dihydro-2H-1-benzopyranyl)>ethanone (58621-52-6) → Chroman-6-carbonyl chloride (55746-03-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / 25percent aq. NaOCl / 0.5 h / Heating

2: 94 percent / SOCl₂ / 1.5 h / Heating

With sodium hypochlorite; thionyl chloride;

upstream raw materials:

6-(3,4-dihydro-1H-1-benzopyranyl)carboxylic acid

chromane

1-<6-(3,4-dihydro-2H-1-benzopyranyl)>ethanone

Downstream raw materials:

1-<2-(2,5-dioxo-1H-pyrrol-1-yl)ethyl>-4-<2-<6-(3,4-dihydro-2H-1-benzopyranyl)>-5-oxazolyl>pyridinium trifluoromethanesulfonate

1-<3-<1-(2,5-dioxopyrrolidinyl)oxycarbonyl>phenylmethyl>-4-<2-<6-(3,4-dihydro-2H-1-benzopyranyl)>-5-oxazolyl>pyridinium bromide

1-<2-(thiocarbonylamino)phenylmethyl>-4-<2-<6-(3,4-dihydro-2H-1-benzopyranyl)>-5-oxazolyl>pyridinium bromide

1-<2-(thiocarbonylamino)ethyl>-4-<2-<6-(3,4-dihydro-2H-1-benzopyranyl)>-5-oxazolyl>pyridinium bromide

Refernces