Tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate

Basic Information

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CAS Number

889949-18-2

Molecular Formula

C10H20N2O3

Molecular Weight

216.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Flash Point

146.1℃

SMILES

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CC(C)(C)OC(=O)N1CCC(C1)(CO)N

InChI

InChI=1S/C10H20N2O3/c1-9(2,3)15-8(14)12-5-4-10(11,6-12)7-13/h13H,4-7,11H2,1-3H3

InChIKey

BAMSJMDJDXMZDC-UHFFFAOYSA-N

LogP

0.3170000000000001

Topological Polar Surface Area

75.79 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

250

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

tert-Butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
1-Boc-3-amino-3-(hydroxymethyl)pyrrolidine
TERT-BUTYL 3-AMINO-3-(HYDROXYMETHYL)PYRROLIDINE-1-CARBOXYLAT
tert-butyl3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
BAMSJMDJDXMZDC-UHFFFAOYSA-N
TRA0062725
AB20181
FCH1623650
SY015958
AX8227850
AB0031830
X5053
tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-
3-AMI
tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
1,1-Dimethylethyl 3-amino-3-(hydroxymethyl)-1-pyrrolidinecarboxylate (ACI)
3-Amino-3-hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester
AKOS015841229
DB-078273
3-Amino-3-hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester, AldrichCPR
SCHEMBL2343091
CS-0047120
889949-18-2
3-AMINO-3-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
MFCD04115530
J-524833
DTXSID30647088
W11258
1-BOC-3-AMINO-3-(HYDROXYMETHYL)PYRROLIDINE
DS-17369

MDL Number

MFCD04115530

FAQ

What are the physical and chemical properties of tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS: 889949-18-2)?

Tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate is a white or off-white crystalline solid with a molecular weight of approximately 246.32 g/mol. It has a high solubility in water and organic solvents. Chemically, it is highly reactive due to the presence of amino and hydroxyl groups, making it susceptible to nucleophilic and electrophilic reactions. The compound is stable under normal conditions but should be stored away from strong acids and bases.

How is tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS: 889949-18-2) typically synthesized?

Tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate can be synthesized via a multistep process involving the protection of a pyrrolidine ring with tert-butyl, followed by the introduction of an amino group and a hydroxymethyl group. Commonly, this involves reagents such as tert-butyldiphenylsilyl chloride and hydrogenation catalysts like palladium on carbon. The synthetic route yields a highly pure product with good selectivity and high yield.

What industries use tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS: 889949-18-2)?

Tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate finds applications in various industries, including pharmaceuticals, where it serves as a building block in the synthesis of complex molecules. It is also used in the development of sensor materials for detecting specific chemicals. Additionally, it has potential uses in the polymer industry for modifying material properties and in semiconductor manufacturing for etching processes.

What precautions should be taken when handling tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS: 889949-18-2)?

When handling tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines to ensure safe handling and disposal of the compound.