3-(Oxan-4-yl)propanoic acid

Base Information

Chemical Name:3-(Oxan-4-yl)propanoic acid
CAS No.:40500-10-5
Molecular Formula:C8H14O3
Molecular Weight:158.197
Hs Code.:2932999099
European Community (EC) Number:816-717-4
DSSTox Substance ID:DTXSID40595425
Nikkaji Number:J2.877.012J
Wikidata:Q72506632
Mol file:40500-10-5.mol

Synonyms:3-(oxan-4-yl)propanoic acid;40500-10-5;3-(Tetrahydro-2H-pyran-4-yl)propanoic acid;MFCD11226123;2H-Pyran-4-propanoic acid, tetrahydro-;3-(Tetrahydro-2H-pyran-4-yl)propanoicacid;SCHEMBL4171831;DTXSID40595425;INABGJQICWLYSG-UHFFFAOYSA-N;AKOS008152006;AT28816;BS-13532;3-(oxan-4-yl)propanoic acid, AldrichCPR;DB-070020;CS-0217592;EN300-78724;A901774;A1-08407;F8889-3427;Z979765670

Suppliers and Price of 3-(Oxan-4-yl)propanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-(Tetrahydro-2H-pyran-4-yl)propanoicacid
100mg
$ 265.00

Matrix Scientific
3-(Tetrahydro-2H-pyran-4-yl)propanoic acid 95%
5g
$ 2542.00

Matrix Scientific
3-(Tetrahydro-2H-pyran-4-yl)propanoic acid 95%
1g
$ 848.00

Crysdot
3-(Tetrahydro-2H-pyran-4-yl)propanoicacid 95+%
1g
$ 798.00

Crysdot
3-(Tetrahydro-2H-pyran-4-yl)propanoicacid 95+%
5g
$ 2396.00

Crysdot
3-(Tetrahydro-2H-pyran-4-yl)propanoicacid 95+%
250mg
$ 319.00

Chemenu
3-(Tetrahydro-2H-pyran-4-yl)propanoicacid 95%
1g
$ 754.00

American Custom Chemicals Corporation
3-(TETRAHYDRO-2H-PYRAN-4-YL)PROPANOIC ACID 95.00%
5MG
$ 498.96

Alichem
3-(Tetrahydro-2H-pyran-4-yl)propanoicacid
5g
$ 2559.90

Alichem
3-(Tetrahydro-2H-pyran-4-yl)propanoicacid
250mg
$ 328.44

Total 12 raw suppliers

Chemical Property of 3-(Oxan-4-yl)propanoic acid

Chemical Property:

Boiling Point:297℃
PKA:4.71±0.10(Predicted)
Flash Point:120℃
PSA：46.53000
Density:1.081
LogP:1.27780
Storage Temp.:2-8°C
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:158.094294304
Heavy Atom Count:11
Complexity:127

Purity/Quality:

97% ^*data from raw suppliers

3-(Tetrahydro-2H-pyran-4-yl)propanoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 41
Safety Statements: 26-39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COCCC1CCC(=O)O

Technology Process of 3-(Oxan-4-yl)propanoic acid

There total 10 articles about 3-(Oxan-4-yl)propanoic acid 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: 87.0%

: 50675-18-8
3,4,5,6-tetrahydro-2H-pyran-4-carbaldehyde

: 2033-24-1
cycl-isopropylidene malonate

: 40500-10-5
3-(tetrahydro-2H-pyran-4-yl)propanoic acid

Guidance literature:: With formic acid; triethylamine; at 100 ℃; for 5h;
DOI:10.1016/j.tetlet.2010.07.054

Reference yield:

: 99197-84-9
ethyl 3-(3,4,5,6-tetrahydro-2H-pyran-4-yl) propionate

: 40500-10-5
3-(tetrahydro-2H-pyran-4-yl)propanoic acid

Guidance literature:: ethyl 3-(3,4,5,6-tetrahydro-2H-pyran-4-yl) propionate; With water; sodium hydroxide; In ethanol; for 16h;

With hydrogenchloride; In water; at 0 - 5 ℃; for 1h; pH=1;

Reference yield:

: 5337-03-1
tetrahydro-2H-pyran-4-carboxylic acid

: 40500-10-5
3-(tetrahydro-2H-pyran-4-yl)propanoic acid

Guidance literature:: Multi-step reaction with 6 steps

1.1: magnesium chloride / tetrahydrofuran / 2.5 h / 10 - 50 °C / Industry scale

1.2: 18.5 h / 30 - 34 °C / Industry scale

2.1: sodium tetrahydroborate / 1.42 h / 10 - 39 °C

2.2: 0 - 5 °C

3.1: dmap / tetrahydrofuran / 3 h / 20 - 35 °C

4.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 24 h / 35 - 50 °C

5.1: hydrogen / palladium(II) hydroxide / ethanol / 5 h / 30 °C / 155.15 Torr

6.1: sodium hydroxide; water / ethanol / 16 h

6.2: 1 h / 0 - 5 °C / pH 1

With dmap; sodium tetrahydroborate; water; hydrogen; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; magnesium chloride; palladium(II) hydroxide; In tetrahydrofuran; ethanol;