N-Boc-3-pyrrolidinecarbaldehyde - CAS 59379-02-1
Catalog: |
BB030364 |
Product Name: |
N-Boc-3-pyrrolidinecarbaldehyde |
CAS: |
59379-02-1 |
Synonyms: |
3-formyl-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-formylpyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-formylpyrrolidine-1-carboxylate |
Description: | N-Boc-3-pyrrolidinecarbaldehyde (CAS# 59379-02-1) is used in the preparation of tertiary amines as agonists of the nuclear hormone receptor Rev-erbα. |
Molecular Weight: | 199.25 |
Molecular Formula: | C10H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)C=O |
InChI: | InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h7-8H,4-6H2,1-3H3 |
InChI Key: | DWLADVOODHZCFV-UHFFFAOYSA-N |
Boiling Point: | 276.3 °C at 760 mmHg |
Density: | 1.148 g/cm3 |
MDL: | MFCD03791257 |
LogP: | 1.38020 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111960983-A | N-methyl-3- (1-methylpyrrolidine-3-yl) propyl-1-amine and synthetic method thereof | 20200831 |
WO-2021201120-A1 | Agent for treating inflammatory bowel disease, and amide compound or salt thereof | 20200331 |
WO-2021201126-A1 | Amide compound or salt thereof, pharmaceutical composition and histone deacetylase inhibitor | 20200331 |
CN-113354635-A | Pyrrolidine integrin regulator and application thereof | 20200306 |
WO-2021175196-A1 | Pyrrolidine integrin modulator and use thereof | 20200306 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.12084340 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS