5870-82-6

Basic information

• Product Name: Butane, 1,1,3-triethoxy-
• Synonyms: Butane, 1,1,3-triethoxy-
• CAS NO: 5870-82-6
• Molecular Formula: C₁₀H₂₂O₃
• Molecular Weight: 190.32
• Mol File: 5870-82-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 225.5°Cat760mmHg
• Flash Point: 79.6°C
• Appearance: /
• Density: 0.891g/cm³
• Vapor Pressure: 0.129mmHg at 25°C
• Refractive Index: 1.415
• CAS DataBase Reference: Butane, 1,1,3-triethoxy-(CAS DataBase Reference)
• NIST Chemistry Reference: Butane, 1,1,3-triethoxy-(5870-82-6)
• EPA Substance Registry System: Butane, 1,1,3-triethoxy-(5870-82-6)

Safety Data

• Hazardous Substances Data: 5870-82-6(Hazardous Substances Data)

Usage

Uses

A poison by ingestion and skin contact. Low toxicity by inhalation. A mild skin irritant.

Safety Profile

A poison by ingestion and skin contact. Low toxicity by inhalation. A mild skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.

InChI:InChI=1/C10H22O3/c1-5-11-9(4)8-10(12-6-2)13-7-3/h9-10H,5-8H2,1-4H3

Synthetic route

diethyl acetal (105-57-7) + ethyl vinyl ether (109-92-2) → 1,1,3-triethoxy-butane (5870-82-6)

Conditions	Yield
NdNaY at 0 - 25℃; for 0.5h;	49%
With boron trifluoride diethyl etherate at 35 - 40℃;
With iron(III) chloride; butan-1-ol

diethyl acetal (105-57-7) + ethyl 1-propenyl ether (928-55-2) + trifluoroborane diethyl ether (109-63-7) → 1,1,3-triethoxy-butane (5870-82-6) + 1,1,3,5-tetraethoxy-hexane (869-33-0) + 1,1,3,5,7-pentaethoxy-octane (870-82-6)

Conditions	Yield
at 35 - 40℃;

diethyl acetal (105-57-7) + 1-ethoxybut-1-ene (929-05-5) + trifluoroborane diethyl ether (109-63-7) → 1,1,3-triethoxy-butane (5870-82-6) + 1,1,3,5-tetraethoxy-hexane (869-33-0) + 1,1,3,5,7-pentaethoxy-octane (870-82-6)

Conditions	Yield
at 35 - 40℃;

diethyl acetal (105-57-7) + 1-ethoxy-2-ethyl-hex-1-ene (41183-53-3) + trifluoroborane diethyl ether (109-63-7) → 1,1,3-triethoxy-butane (5870-82-6) + 1,1,3,5-tetraethoxy-hexane (869-33-0) + 1,1,3,5,7-pentaethoxy-octane (870-82-6)

Conditions	Yield
at 35 - 40℃;

diethyl acetal (105-57-7) → 1,1,3-triethoxy-butane (5870-82-6)

Conditions	Yield
With boron fluoride ether
With zinc(II) chloride
beim Erhitzen mit Bleicherde;
With boron trifluoride diethyl etherate; zinc(II) chloride

3-ethoxy-butyraldehyde (72663-76-4) → 1,1,3-triethoxy-butane (5870-82-6) + crotonaldehyde (123-73-9)

Conditions	Yield

diethyl acetal (105-57-7) + trifluoroborane diethyl ether (109-63-7) + ethyl vinyl ether (109-92-2) → 1,1,3-triethoxy-butane (5870-82-6) + 1,1,3,5-tetraethoxy-hexane (869-33-0) + 1,1,3,5,7-pentaethoxy-octane (870-82-6)

Conditions	Yield
at 35 - 40℃;

tetraethoxy orthosilicate (78-10-4) + crotonaldehyde (123-73-9) → 1,1,3-triethoxy-butane (5870-82-6)

Conditions	Yield
With hydrogenchloride

ethanol (64-17-5) + crotonaldehyde (123-73-9) → 1,1,3-triethoxy-butane (5870-82-6)

Conditions	Yield
With sulfuric acid
With imino-methyl ether hydrochloride

diethyl acetal (105-57-7) + vinyl acetate (108-05-4) → 1,1,3-triethoxy-butane (5870-82-6)

Conditions	Yield
With boron trifluoride; acetic acid; mercury(II) oxide

N,N-dimethyl-formamide; compound with diethyl sulfate (1:1) + crotonaldehyde (123-73-9) → 1,1,3-triethoxy-butane (5870-82-6)

Conditions	Yield
In ethanol

hydrogenchloride (7647-01-0) + tetraethoxy orthosilicate (78-10-4) + ethanol (64-17-5) + crotonaldehyde (123-73-9) → 1,1,3-triethoxy-butane (5870-82-6)

Conditions	Yield

ethanol (64-17-5) + sulfuric acid (7664-93-9) + crotonaldehyde (123-73-9) → 3-ethoxy-butyraldehyde (72663-76-4) + 1,1,3-triethoxy-butane (5870-82-6)

Conditions	Yield

diethyl acetal (105-57-7) + ethyl vinyl ether (109-92-2) + BF3+ ether → 1,1,3-triethoxy-butane (5870-82-6) + 1,1,3,5-tetraethoxy-hexane (869-33-0) + 1,1,3,5,7-pentaethoxy-octane (870-82-6)

Conditions	Yield
at 35 - 40℃;

hydrogenchloride (7647-01-0) + trans-Crotonaldehyde (123-73-9) + ethanol (64-17-5) → 4-ethoxy-2-(2-ethoxy-propyl)-6-methyl-[1,3]dioxane + 3-ethoxy-butyraldehyde (72663-76-4) + 1,1,3-triethoxy-butane (5870-82-6)

Conditions	Yield

ethanol (64-17-5) + crotonaldehyde (123-73-9) → hydrogenchloride (7647-01-0) + 1,1,3-triethoxy-butane (5870-82-6)

Conditions	Yield
With dichloromethane unter Entfernen des entstandenen Wassers;

1,1,3-triethoxy-butane (5870-82-6) + bis(hydroxymethyl)phenylphosphine sulfide (3296-60-4) → 2-propenyl-5-phenyl-5-thio-1,3,5-dioxaphosphorinane (111514-38-6, 111514-39-7)

Conditions	Yield
at 180℃;	80%

1,1,3-triethoxy-butane (5870-82-6) + 1,2-Dithiomethyl-4,5-dimethylbenzol (197565-89-2) → 1,5-dihydro-3,7,8-trimethyl-3H-2,4-benzodithiepin (10153-31-8)

Conditions	Yield
With boron trifluoride In chloroform; acetic acid at 65℃; Mechanism; Product distribution; other mono- and dialkyl-substituted 1,1,3-triethoxypropanes;	25%

1,1,3-triethoxy-butane (5870-82-6) → trans-Crotonaldehyde (123-73-9)

Conditions	Yield
With hydrogenchloride

1,1,3-triethoxy-butane (5870-82-6) → (E)-1-ethoxybuta-1,3-diene (19774-34-6)

Conditions	Yield
With sodium dihydrogenphosphate at 320℃; bei vermindertem Druck;
With trimagnesium phosphate; silica gel at 200 - 350℃; under 8 - 18 Torr; und andere Katalysatoren;
With barium metasilicate at 270 - 312℃;
With ammonium dihydrogen phosphate at 200℃;
With quinoline; toluene-4-sulfonic acid at 240℃;

1,1,3-triethoxy-butane (5870-82-6) → 1-ethoxybuta-1,3-diene (5614-32-4)

Conditions	Yield
at 200 - 350℃; ueber verschiedenen Katalysatoren;
at 250 - 350℃; ueber Katalysatoren;

1,1,3-triethoxy-butane (5870-82-6) → 3-ethoxy-butyraldehyde (72663-76-4)

Conditions	Yield
With hydrogenchloride at 25℃;
With sulfuric acid at 30 - 40℃;
With hydrogenchloride at 25℃;

1,1,3-triethoxy-butane (5870-82-6) → 1,3-diethoxy-but-1-ene

Conditions	Yield
With aluminum oxide

1,1,3-triethoxy-butane (5870-82-6) → 3,5-diethoxy-2-(1-ethoxy-ethyl)-hexanal-diethylacetal (101883-07-2)

Conditions	Yield
With Fuller's Earth unter Entfernen des entstehenden Aethanols;

1,1,3-triethoxy-butane (5870-82-6) + ethyl vinyl ether (109-92-2) → 1,1,3,5-tetraethoxy-hexane (869-33-0)

Conditions	Yield
With iron(III) chloride; butan-1-ol
With boron trifluoride diethyl etherate

1,1,3-triethoxy-butane (5870-82-6) + ethyl vinyl ether (109-92-2) → 1,1,3,5,7,9-hexaethoxy-decane (870-81-5)

Conditions	Yield
With iron(III) chloride; butan-1-ol

diketene (88996-98-9) + 1,1,3-triethoxy-butane (5870-82-6) → (E)-2-Acetyl-5-ethoxy-hex-2-enoic acid ethyl ester

Conditions	Yield
With boron trifluoride diethyl etherate

1,1,3-triethoxy-butane (5870-82-6) → 1-Chloro-1,3-diethoxy-butane (112793-89-2)

Conditions	Yield
With boron trichloride In dichloromethane at 0℃; for 2.5h;

1,1,3-triethoxy-butane (5870-82-6) + N,N-dimethylammonium chloride (506-59-2) + N,N-dimethyl-formamide (68-12-2, 33513-42-7) → <5-(dimethylamino)-2,4-pentadienylidene>dimethylammonium perchlorate

Conditions	Yield
With sodium hydroxide; sodium perchlorate; trichlorophosphate 3.) water; Yield given. Multistep reaction;

1,1,3-triethoxy-butane (5870-82-6) + ammonium acetate (631-61-8) + ammonium hydroxide → 5-ethyl-2-methyl-pyridine (104-90-5)

Conditions	Yield
at 220 - 228℃;

Upstream product

• 105-57-7 diethyl acetal 
• 928-55-2 ethyl 1-propenyl ether 
• 109-63-7 trifluoroborane diethyl ether 
• 929-05-5 1-ethoxybut-1-ene 
• 41183-53-3 1-ethoxy-2-ethyl-hex-1-ene 
• 72663-76-4 3-ethoxy-butyraldehyde 
• 109-92-2 ethyl vinyl ether 
• 7647-01-0 hydrogenchloride 
• 78-10-4 tetraethoxy orthosilicate 
• 64-17-5 ethanol 
• 123-73-9 crotonaldehyde 
• 7664-93-9 sulfuric acid 
• 123-73-9 trans-Crotonaldehyde 
• 108-05-4 vinyl acetate 

Downstream Products

• 123-73-9 trans-Crotonaldehyde 
• 123-73-9 crotonaldehyde 
• 104-90-5 5-ethyl-2-methyl-pyridine 

Relevant articles and documents

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α,β-Unsaturated Aldehydes; Montmorillonite Clay K-10, An Effective Catalyst for the Preparation of Unsaturated Aldehydes via Condensation of Acetals with Vinyl Ethers

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