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

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 
• 78-10-4 tetraethoxy orthosilicate 
• 123-73-9 crotonaldehyde 
• 64-17-5 ethanol 
• 108-05-4 vinyl acetate 
• 7647-01-0 hydrogenchloride 
• 7664-93-9 sulfuric acid 
• 123-73-9 trans-Crotonaldehyde 

Downstream Products

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

Relevant articles and documents

ZEOLITES AS CATALYSTS FOR THE CONDENSATION OF ACETALS WITH VINYL ETHERS

Synthetic zeolites may be used as catalysts for the condensation of acetals and ketals with vinyl ethers, leading to 1,1,3-trialkoxyalkanes.The Nd forms of dealuminized Y zeolites were found to be efficient in this reaction.