Introduction：Basic information about 3-Buten-1-ol CAS 627-27-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Buten-1-ol Basic informationDescription
| Product Name: | 3-Buten-1-ol |
| Synonyms: | 1-Buten-4-ol;3-buten-1-0l;3-Buten-1-O1;3-butene-1-0l;3-Butenol;3-Butenyl alcohol;BUTEN-(3)-O1-(L);CH2=CHCH2CH2OH |
| CAS: | 627-27-0 |
| MF: | C4H8O |
| MW: | 72.11 |
| EINECS: | 210-991-3 |
| Product Categories: | Pharmaceutical intermediates;Acyclic;Alkenes;Building Blocks;Chemical Synthesis;Organic Building Blocks;Alcohol& Phenol& Ethers;API intermediates;omega-Unsaturated Alkanols;omega-Functional Alkanols, Carboxylic Acids, Amines & Halides;pharmaceutical industry |
| Mol File: | 627-27-0.mol |
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3-Buten-1-ol Chemical Properties
| Melting point | -31.44°C (estimate) |
| Boiling point | 112-114 °C (lit.) |
| density | 0.838 g/mL at 25 °C (lit.) |
| refractive index | n20/D 1.421(lit.) |
| Fp | 90 °F |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | soluble in Chloroform, Methanol |
| form | Liquid |
| pka | 15.04±0.10(Predicted) |
| color | Clear colorless to slightly yellow |
| Specific Gravity | 0.843 |
| explosive limit | 2-28%(V) |
| Water Solubility | SOLUBLE |
| BRN | 1633504 |
| Stability: | Stable. Incompatible with acids, acid chlorides, acid anhydrides, oxidizing agents. Flammable. |
| InChI | 1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2 |
| InChIKey | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
| SMILES | OCCC=C |
| LogP | 0.679 (est) |
| CAS DataBase Reference | 627-27-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Buten-1-ol(627-27-0) |
| EPA Substance Registry System | 3-Buten-1-ol (627-27-0) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 16-26-36 |
| RIDADR | UN 1987 3/PG 3 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29052990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
3-Buten-1-ol Usage And Synthesis
| Description | 3-Buten-1-ol(627-27-0) is a homoallyl alcohol. It is employed in a study of the Mn-catalyzed hydrohydrazination of olefins. It is also used in a study of the conversion of propargylic acetates to ethers catalyzed by ferric chloride1. It can also be used as a starting reagent in asymmetric total synthesis of natural seimatopolide B. It was also used in the synthesis of catalytic bimetallic nanoparticles2. |
| Chemical Properties | liquid |
| Uses | 3-Buten-1-ol is an aliphatic primary alcohol used as a reagent in organic synthesis. |
| Uses | 3-Buten-1-ol is employed in a study of the Mn-catalyzed hydrohydrazination of olefins. Also used in a study of the conversion of propargylic acetates to ethers catalyzed by ferric chloride. |
| Uses | Employed in a study of the Mn-catalyzed hydrohydrazination of olefins. Also used in a study of the conversion of propargylic acetates to ethers cataylzed by ferric chloride. |
| Definition | ChEBI: 3-Buten-1-ol is a primary alcohol. |
| General Description | 3-Buten-1-ol is a homoallyl alcohol that can be prepared by the dehydration of 1,4-butanediol using cerium catalyst. The intramolecular hydrogen bonding of 3-buten-1-ol has been studied using FT-IR and 1H NMR spectroscopic data. Its microwave spectrum has been recorded and analyzed. The alkylation reaction of 3-buten-1-ol using titanium-organoaluminum system has been studied. Its gas-phase enthalpy of formation has been reported to be -147.3 ± 1.8kJ mol-1. |
| Hazard | 3-Buten-1-ol is strongly irritating to the skin and eyes. it may cause respiratory irritation. it is toxic to aquatic organisms and has long lasting effects. |
| Synthesis | The synthesis of 3-Buten-1-ol is as follows:After adding 24.3 g (1 mol) of magnesium turnings, 50 g of diethyl ether and 1 ml of dibromoethane in a 500 mL four-necked flask,A solution of 62.5 g of vinyl chloride (1 mol) dissolved in 200 g of diethyl ether was added dropwise to magnesium and diethyl ether, and the micro reflux was controlled, and the dropwise addition was completed, and the mixture was kept under a micro reflux for 2 hours, and the temperature was lowered to -5 °C;Then 44 g (1 mol) of ethylene oxide was dissolved in 60 g of diethyl ether. Ethylene oxide is added dropwise to the vinylmagnesium chloride solution prepared above, control the temperature -5-5 degrees, and stir at this temperature for 1 hour. Sampling gas phase analysis until the reaction is complete; pour the reaction solution into a 1000 mL beaker, Add 200mL of ice water and add ammonium chloride until the residual magnesium disappears. Control the temperature 0-10 ° C, stir for 1 hour after the addition, add salt to saturation, static layering. The organic layer was separated and washed twice with 100 ml of saturated brine, and a polymerization inhibitor was added. The product is subjected to rectification to obtain 53 g of 3-buten-1-ol, and the content is 99.2%. The yield was 73.6%.
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3-Buten-1-ol Preparation Products And Raw materials
| Raw materials | Cyclopropyl carbinol |
| Preparation Products | 2-(IODOMETHYL)OXETANE-->2-HYDROXYTETRAHYDROPYRAN-->OXY-3-PENTENE-->Acetal-->(But-3-en-1-yloxy)(tert-butyl)diphenylsilane-->N-(2-Ethynyltetrahydro-2H-pyran-4-yl)acetaMide-->9-N-ACETYLAMINO-6-OXASPIRO[4.5]DECANE-->Benzene, 1-(3-buten-1-yloxy)-4-methoxy--->2-Bromo-3-(but-3-enyloxy)pyridine-->2-BUTYL-1-INDANONE 95-->1-Hexanone, 1-(4-fluorophenyl)- |
