3-(Prop-2-YN-1-yloxy)propan-1-OL

Base Information

• Chemical Name: 3-(Prop-2-YN-1-yloxy)propan-1-OL
• CAS No.: 5935-29-5
• Molecular Formula: C6H10O2
• Molecular Weight: 114.14200
• Hs Code.: 2909499000
• European Community (EC) Number: 611-823-5
• DSSTox Substance ID: DTXSID301304224
• Mol file: 5935-29-5.mol

Synonyms:3-(PROP-2-YN-1-YLOXY)PROPAN-1-OL;5935-29-5;3-hydroxypropyl propargyl ether;3-prop-2-ynoxypropan-1-ol;SCHEMBL1142610;3-(2-propynyloxy)propan-1-ol;DTXSID301304224;3-(2-Propyn-1-yloxy)-1-propanol;AT27920;BS-42657;CS-0226971;EN300-686899

Chemical Property of 3-(Prop-2-YN-1-yloxy)propan-1-OL

Chemical Property:

• Vapor Pressure: 0.098mmHg at 25°C
• Boiling Point: 197.26oC at 760 mmHg
• Flash Point: 81.243oC
• PSA: 29.46000
• Density: 0.991g/cm3
• LogP: 0.01860
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 79.8

Purity/Quality:

95% ^*data from raw suppliers

3-(prop-2-yn-1-yloxy)propan-1-ol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCOCCCO

Technology Process of 3-(Prop-2-YN-1-yloxy)propan-1-OL

There total 4 articles about 3-(Prop-2-YN-1-yloxy)propan-1-OL 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%

tert-butyl 3-(prop-2-yn-1-yloxy)propanoate (488150-84-1) → 3-(2-propyn-1-yloxyl)-1-propanol (5935-29-5)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at -30 ℃; for 1.25h;

Reference yield: 73.0%

propargyl bromide (106-96-7) + trimethyleneglycol (504-63-2) → 3-(2-propyn-1-yloxyl)-1-propanol (5935-29-5)

Guidance literature:

With sodium hydroxide; at 0 - 20 ℃; for 24h;

Reference yield:

prop-2-ynyloxymethyl-oxirane (18180-30-8) + diphenylsilane (775-12-2) → 1-(prop-2-ynyloxy)propan-2-ol (3973-17-9) + 3-(2-propyn-1-yloxyl)-1-propanol (5935-29-5)

Guidance literature:

diphenylsilane; With potassium tert-butylate; nickel diacetate; trimethyl 5-((butylamino)(hydroxy)methylene)-4-(butylcarbamoyl)cyclopenta-1,3-diene-1,2,3-tricarboxylate; In acetonitrile; for 0.0833333h; Inert atmosphere;

prop-2-ynyloxymethyl-oxirane; With boron trifluoride diethyl etherate; In acetonitrile; at 20 ℃; for 16h; Inert atmosphere; Sealed tube;

With methanol; water; sodium hydroxide; In acetonitrile; at 20 ℃; for 8h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.1c03029

upstream raw materials:

propargyl bromide

trimethyleneglycol

tert-butyl 3-(prop-2-yn-1-yloxy)propanoate

1,2,3-tribromopropane

Downstream raw materials:

3-(2-propynyloxy)propanol p-toluenesulfonate

(E)-1-Phenylsulfonyl-5-oxa-oct-1-en-7-yn-3-ol

(E)-3-Ethoxymethoxy-1-phenylsulfonyl-5-oxaoct-1-en-7-yne

(E)-1-Phenylsulfonyl-3-triisopropylsiloxy-5-oxaoct-1-en-7-yne