(3r,4s,5s)-Tert-butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride

Basic Information

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CAS Number

120205-48-3

Molecular Formula

C14H30ClNO3

Molecular Weight

295.85 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CCC(C)C(C(CC(=O)OC(C)(C)C)OC)NC.Cl

InChI

InChI=1S/C14H29NO3.ClH/c1-8-10(2)13(15-6)11(17-7)9-12(16)18-14(3,4)5;/h10-11,13,15H,8-9H2,1-7H3;1H/t10-,11+,13-;/m0./s1

InChIKey

JRXGCIIOQALIMZ-LWEGJDAASA-N

LogP

2.7891000000000017

Topological Polar Surface Area

47.56 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

248

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride
(3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoic Acid 1,1-Dimethylethyl Ester Hydrochloride
(3R,4S,5S)-3-Methoxy
(3R,4S,5S)-tert-butyl-3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride
2-Methyl-2-propanyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino) heptanoate hydrochloride (1:1)
(3R,4R)-1-tert-butoxycarbonyl-3-hydroxy-4-(hydroxymethyl)pyrrolidine
(3R,4R)-N-tert-butoxycarbonyl-3-h
(3R,4S)-3-Amino-4-hydroxy-azepane-1-carboxylic acid tert-butyl ester
3R,4S,5S-tert-butyl 3-methoxy-5-methyl-4-
Dil tert-butyl ester hydrochloride
methylaminoheptanoatehydrochloride
tert-butyl (3R*,4R*)-4-amino-3-hydroxy-piperidine-1-carboxylate
tert-butyl (3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate
EOS-60618
Dil-OtBu.HCl
Dolaisoleucine Hydrochloride (DIL-HCl)
tert-Butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride
(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydrochloride (Dil-HCl)
(3r,4s,5s)-tert-butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride
JRXGCIIOQALIMZ-LWEGJDAASA-N
AK174304
C14H29NO3.ClH
RL00795
Y1817
T
(3r,4s,5s)-tert-butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate HCl
tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochl
tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochloride
120205-48-3
tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate, hydrochloride salt
F19577

MDL Number

MFCD19688575

FAQ

What regulatory guidelines apply to (3r,4s,5s)-Tert-butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride (CAS: 120205-48-3)?

This compound must comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for hazardous substances. In the European Union, it would also need to meet REACH regulations. For use in food contact materials or pharmaceuticals, FDA and EPA guidelines should be followed. It is essential to review and adhere to local and national regulations specific to its intended use and handling.

Are there alternatives to (3r,4s,5s)-Tert-butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride (CAS: 120205-48-3) in synthesis?

Alternatives may include similar structured compounds like (3r,4s,5s)-Tert-butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate without the hydrochloride salt. Isomers or analogs such as (3r,4s,5r)-Tert-butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate may also be considered. Common reagents for synthesis include tert-butyl chloroformate and methylamine under milder conditions, which can offer safer and more efficient routes.

What is the market or research trend for (3r,4s,5s)-Tert-butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride (CAS: 120205-48-3)?

The market trend for this compound is showing steady growth, particularly in the pharmaceutical and cosmetic industries. Recent research focuses on its applications as an intermediate in drug synthesis and as a potential ingredient in skin care products. Market analysis indicates increasing demand driven by rising product development and regulatory approvals in these sectors.

How should waste containing (3r,4s,5s)-Tert-butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride (CAS: 120205-48-3) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of according to local regulations. For safe disposal, consider incineration or professional waste management services. Ensure environmental protection measures are in place, such as neutralizing any acidic or basic waste before disposal. Always consult with environmental protection agencies for specific guidelines.