Carbamic acid, (4-chlorobutyl)-, 1,1-dimethylethyl ester


Chemical Name: Carbamic acid, (4-chlorobutyl)-, 1,1-dimethylethyl ester
CAS Number: 95388-79-7
Product Number: AG006NHO(AGN-PC-02JNUV)
Synonyms:
MDL No:
Molecular Formula: C9H18ClNO2
Molecular Weight: 207.6977

Identification/Properties


Properties
BP:
292.9°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
207.698g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
Exact Mass:
207.103g/mol
Monoisotopic Mass:
207.103g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
154
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Tert-Butyl (4-chlorobutyl)carbamate is a versatile compound commonly used in chemical synthesis processes. Its primary application lies in its role as a protective group in organic chemistry reactions. By selectively masking reactive functional groups on molecules, this compound allows chemists to control the site-specific reactions during complex synthesis pathways.In particular, tert-Butyl (4-chlorobutyl)carbamate is frequently utilized in the modification of natural products and pharmaceutical intermediates. Its ability to shield specific functional groups from unwanted side reactions makes it invaluable in the production of fine chemicals and active pharmaceutical ingredients. Moreover, the ease of removal of the carbamate group under mild conditions ensures high efficiency in synthesis routes, ultimately leading to higher yields and purities of the desired products.