trans-1-(Boc-amino)-4-(hydroxymethyl)cyclohexane - CAS 239074-29-4
Catalog: |
BB018237 |
Product Name: |
trans-1-(Boc-amino)-4-(hydroxymethyl)cyclohexane |
CAS: |
239074-29-4 |
Synonyms: |
N-[4-(hydroxymethyl)cyclohexyl]carbamic acid tert-butyl ester; tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate |
IUPAC Name: | tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate |
Description: | trans-1-(Boc-amino)-4-(hydroxymethyl)cyclohexane (CAS# 239074-29-4) is used to prepare C-2 hydroxyethyl imidazopyrrolo pyridines as JAK1 inhibitors. It is also used to prepare Mer kinase inhibitors for treatment of pediatric acute lymphoblastic leukemia. |
Molecular Weight: | 229.32 |
Molecular Formula: | C12H23NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCC(CC1)CO |
InChI: | InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h9-10,14H,4-8H2,1-3H3,(H,13,15) |
InChI Key: | SGNKPJPMWHKOJO-UHFFFAOYSA-N |
Boiling Point: | 351.603 °C at 760 mmHg |
Density: | 1.05 g/cm3 |
MDL: | MFCD03844605 |
LogP: | 2.45310 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021284670-A1 | Antiviral compounds | 20200218 |
WO-2021167882-A1 | Antiviral compounds | 20200218 |
WO-2021168038-A1 | Antiviral compounds | 20200218 |
WO-2021127328-A1 | Trpml modulators | 20191219 |
US-2021147360-A1 | Ssao inhibitors and use thereof | 20191029 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.16779360 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.16779360 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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