tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate

HCID 5201202
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Basic information

CAS
135065-69-9
Standard SMILES
CC(C)(C)OC(=O)N1CCOC(CO)C1
InChIKey
FJYBLMJHXRWDAQ-UHFFFAOYSA-N
Molecular formula
C10H19NO4
Average molar mass
217.26 g/mol
Monoisotopic mass
217.13140809

Names & identifiers

Preferred name
tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate
IUPAC
tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate
English name
2-HYDROXYMETHYL-4-BOC-MORPHOLINE
Molecular formula
C10H19NO4
Molecular weight
217.26

Names & synonyms

135065-69-9Tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl esterDTXSID90409523RefChem:892430DTXCID20360375842-996-74-boc-2-hydroxymethylmorpholine2-Hydroxymethyl-4-Boc-morpholine4-Boc-2-hydroxymethyl-morpholineN-BOC-2-(HYDROXYMETHYL)MORPHOLINEN-Boc-2-hydroxymethylmorpholine
Show more names
2-Hydroxymethyl-morpholine-4-carboxylic acid tert-butyl esterViloxazine Impurity 3Boc-2-hydroxymethyl-morpholine4-N-BOC-2-HYDROXYMETHYLMORPHOLINE
MFCD03426270tert-butyl 2-(hydroxymethyl)-4-morpholinecarboxylateN-tert-Butoxycarbonyl-2-(hydroxymethyl)morpholine; tert-Butyl 2-(hydroxymethyl)-4-morpholinecarboxylate4-MORPHOLINECARBOXYLIC ACID, 2-(HYDROXYMETHYL)-, 1,1-DIMETHYLETHYL ESTERboc-2-hydroxymethylmorpholineN-tert-Butoxycarbonyl-2-(hydroxymethyl)morpholineSCHEMBL304804CHEMBL4586987

Database identifiers

CAS
135065-69-9
PubChem CID
5201202
DTXSID
DTXSID90409523
ChEMBL
CHEMBL4586987
EC Number
842-996-7
Nikkaji
J2.377.408I

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
59 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Boiling point
320.7 · 320.7±27.0 °C(Predicted)
Density
1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
Dichloromethane, Ether, Ethyl Acetate,
form
Oil
pka
14.36 · 14.36±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code
2934999090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

UsesIntermediate in the preparation of racemic analogs of Viloxazine.

Upstream & downstream products

Suppliers100 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

Related reactions

56 records
New reaction record

Compound notes

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