(1S,4S)-(-)-2-BOC-2,5-diazabicyclo[2.2.1]heptane, 95%, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10693975	Thermo Scientific Acros 398040010	1 g	Glass bottle
10597054	Thermo Scientific Acros 398040050	5 g	Glass bottle

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

• CAS: 113451-59-5
• Molecular Weight (g/mol): 198.26
• InChI Key: UXAWXZDXVOYLII-YUMQZZPRSA-N
• PubChem CID: 11521263
• SMILES: CC(C)(C)OC(=O)N1CC2CC1CN2

• Molecular Formula: C₁₀H₁₈N₂O₂
• MDL Number: MFCD01569250
• Synonym: 1s,4s-2-boc-2,5-diazabicyclo 2.2.1 heptane, tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylate, 1s,4s-tert-butyl 2,5-diazabicyclo 2.2.1 heptane-2-carboxylate, 1s,4s-n-tert-butoxycarbonyl-2,5-diazabicyclo 2.2.1 heptane, 1s,4s---2-boc-2,5-diazabicyclo 2.2.1 heptane, tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptan-2-carboxylate, 1s,4s-2,5-diaza-bicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester, 1s,4s-n-boc-2,5-diazabicyclo 2.2.1 heptane, 1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester, tert-butyl 1s,4s---2,5-diazabicyclo 2.2.1 heptane-2-carboxylate
• IUPAC Name: tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Specifications

• CAS: 113451-59-5
• CAS Max %: 100.0
• Color: White to Beige
• Assay Percent Range: 94% min. (GC)
• MDL Number: MFCD01569250
• Synonym: 1s,4s-2-boc-2,5-diazabicyclo 2.2.1 heptane, tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylate, 1s,4s-tert-butyl 2,5-diazabicyclo 2.2.1 heptane-2-carboxylate, 1s,4s-n-tert-butoxycarbonyl-2,5-diazabicyclo 2.2.1 heptane, 1s,4s---2-boc-2,5-diazabicyclo 2.2.1 heptane, tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptan-2-carboxylate, 1s,4s-2,5-diaza-bicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester, 1s,4s-n-boc-2,5-diazabicyclo 2.2.1 heptane, 1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester, tert-butyl 1s,4s---2,5-diazabicyclo 2.2.1 heptane-2-carboxylate
• InChI Key: UXAWXZDXVOYLII-YUMQZZPRSA-N
• IUPAC Name: tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
• PubChem CID: 11521263
• Percent Purity: 95%
• Chemical Name or Material: (1S,4S)-(-)-2-BOC-2,5-diazabicyclo[2.2.1]heptane

• CAS Min %: 94.0
• Melting Point: 74.0°C to 76.0°C
• Infrared Spectrum: Authentic
• Molecular Formula: C₁₀H₁₈N₂O₂
• Specific Rotation: -41° to -47° (20°C, 589nm) (C=1, chloroform)
• Solubility Information: Solubility in water: insoluble
• SMILES: CC(C)(C)OC(=O)N1CC2CC1CN2
• Molecular Weight (g/mol): 198.26
• Formula Weight: 198.26
• Physical Form: Powder

Safety and Handling

GHS H Statement
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.

GHS P Statement
Wear eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if present and easy to do.
Continue rinsing.

GHS Signal Word: Warning

Product Identifier

• (1S,4S)-(-)-2-BOC-2,5-diazabicyclo¢2.2.1!heptane

Signal Word

• Warning

Hazard Category

• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H319-Causes serious eye irritation.
• H335-May cause respiratory irritation.
• H315-Causes skin irritation.

Precautionary Statement

• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

RUO – Research Use Only