Allyloxy propanol

Base Information

• Chemical Name: Allyloxy propanol
• CAS No.: 6180-67-2
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16
• Hs Code.: 2909499000
• European Community (EC) Number: 618-551-6,832-045-4
• DSSTox Substance ID: DTXSID90864178
• Nikkaji Number: J985.173I
• Mol file: 6180-67-2.mol

Synonyms:Allyloxy propanol;6180-67-2;9042-19-7;3-prop-2-enoxypropan-1-ol;3-(allyloxy)propan-1-ol;3-(prop-2-en-1-yloxy)propan-1-ol;Poly[oxy(methyl-1,2-ethanediyl)], a-2-propenyl-w-hydroxy-;1-Propanol, 3-(2-propenyloxy)-;3-allyloxy-propan-1-ol;3-(Allyloxy)-1-propanol;SCHEMBL272770;DTXSID90864178;(C3-H6-O)mult-C3-H6-O;3-[(Prop-2-en-1-yl)oxy]propan-1-ol;FT-0695715;EN300-269649

Chemical Property of Allyloxy propanol

Chemical Property:

• Boiling Point: 186.0±15.0 °C(Predicted)
• PKA: 14.92±0.10(Predicted)
• PSA: 29.46000
• Density: 0.917±0.06 g/cm3(Predicted)
• LogP: 0.57140
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 52.5

Purity/Quality:

98% ^*data from raw suppliers

ALLYLOXYPROPANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C=CCOCCCO

Technology Process of Allyloxy propanol

There total 2 articles about Allyloxy propanol 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: 36.0%

Benzoic acid 3-allyloxy-propyl ester → 1-Phenyl-3-buten-1-ol (80735-94-0,936-58-3) + 3-hydroxypropyl benzoate (6946-99-2) + 3-allyloxy-1-propanol (6180-67-2)

Guidance literature:

With titanium(IV) isopropylate; cyclohexylmagnesiumchloride; In tetrahydrofuran; Ambient temperature;

DOI:10.1016/0040-4039(96)00657-0

Reference yield:

methanol (67-56-1) + allyl alcohol (107-18-6) → methoxypropanol (1589-49-7) + 3-allyloxy-1-propanol (6180-67-2)

Guidance literature:

activated carbon-supported lantahanium oxide; at 200 ℃; for 6h; Product distribution / selectivity;

Reference yield: 93.0%

3-allyloxy-1-propanol (6180-67-2) + p-toluenesulfonyl chloride (98-59-9) → 3-(allyloxy)propyl 4-methylbenzenesulfonate (142288-06-0)

Guidance literature:

With pyridine; at 0 ℃; for 48h;

DOI:10.1080/00397919208021293

upstream raw materials:

methanol

allyl alcohol

Downstream raw materials:

3-[2-chloro-3-(3-chloro-o-tolyl)propoxy]propanol

3-allyloxypropionaldehyde

3-(allyloxy)propyl 4-methylbenzenesulfonate

trimethyleneglycol

Refernces

• 1、 Lee, Jinhwa,Cha, Jin Kun. "Selective cleavage of allyl ethers". . p. 3663 - 3666. Retrieved 2007/10/03.