Description

1,3-Dichloro-2-(methoxymethoxy)propane (CAS No. 70905-45-2) is a highly versatile chlorinated ether compound with the molecular formula C₅H₁₀Cl₂O₂. This specialty chemical is widely utilized in organic synthesis and pharmaceutical intermediates due to its reactive dichloropropane backbone and methoxymethoxy protecting group. The compound is characterized by its clear to pale yellow liquid appearance, moderate volatility, and compatibility with a range of solvents, including ethers and chlorinated hydrocarbons. With a purity of ≥95% (GC), it is an essential reagent for nucleophilic substitution reactions, cyclizations, and as a precursor for complex molecular architectures. Proper storage under inert gas at 2-8°C is recommended to ensure stability.

Properties

• CAS Number: 70905-45-2
• Complexity: 56.9
• IUPAC Name: 1,3-dichloro-2-(methoxymethoxy)propane
• InChI: InChI=1S/C5H10Cl2O2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H3
• InChI Key: GEGJQMIXBNYSQG-UHFFFAOYSA-N
• Exact Mass: 172.0057849
• Molecular Formula: C5H10Cl2O2
• Molecular Weight: 173.03
• SMILES: COCOC(CCl)CCl
• Topological: 18.5
• Monoisotopic Mass: 172.0057849
• Synonyms: 1,3-dichloro-2-(methoxymethoxy)propane, 70905-45-2, DTXSID50415842, DTXCID80366691, 679-625-1, 1-Chloro-2-(chloromethyl)-3,5-dioxahexane, MFCD00130114, 1,1-Bis(chloromethyl)-2,4-dioxapentane, 2-chloro-1-(chloromethyl)ethyl methoxymethyl ether, SCHEMBL4474902, AKOS027320549, AS-63628, C1197, D89367, EN300-170259, 1 pound not3-Dichloro-2-(methoxymethoxy)propane, 1,3-DICHLORO-2-(METHOXYMETHOXY)-PROPANE, InChI=1/C5H10Cl2O2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H

Application

1,3-Dichloro-2-(methoxymethoxy)propane serves as a key intermediate in the synthesis of fine chemicals and active pharmaceutical ingredients (APIs). Its dichloro functionality enables efficient alkylation reactions, while the methoxymethoxy group acts as a protective moiety for alcohols in multi-step syntheses. Researchers employ this compound in the development of heterocyclic compounds, agrochemicals, and polymer modifiers. It is particularly valuable in medicinal chemistry for constructing chiral building blocks and prodrug formulations.

Safety and Hazards

GHS Hazard Statements

• H227 (50%): Combustible liquid [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (50%)

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